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1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene | SBID = 1743 | Compound |
Structure
Molecular Properties
Interactions: |
3
|
PubChem TPSA/Å2: |
24.7 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
2.6 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
0.0 |
Number of H-Bond Acceptors: |
2.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
0.0 |
3D Volume/Å3: |
135.0 |
Sum Formula: |
C10H18N2 |
M / g/mol: |
166.26 |
Complexity: |
210.0 |
Number of Conformers: |
3.0 |
Identifiers
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Tags:
typical guest
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Name:
1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene
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Preferred Abbreviation:
1-isopropyl-4-methyl-diazabicyclooctaene
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IUPAC Name:
1-methyl-4-propan-2-yl-2,3-diazabicyclo[2.2.2]oct-2-ene
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CAS:
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CID:
45096295
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InChiKey:
GAWVEZJEYQKBTK-UHFFFAOYSA-N
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InChi:
InChI=1S/C10H18N2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h8H,4-7H2,1-3H3
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CanoSmiles:
CC(C)C12CCC(CC1)(N=N2)C
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IsoSmiles:
CC(C)C12CCC(CC1)(N=N2)C