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4,9-diaminodiamantane | SBID = 1060 | Compound |
Structure
Molecular Properties
Interactions: |
4
|
PubChem TPSA/Å2: |
52.0 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
0.7 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
2.0 |
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: |
159.1 |
Sum Formula: |
C14H22N2 |
M / g/mol: |
218.34 |
Complexity: |
276.0 |
Number of Conformers: |
1.0 |
Identifiers
-
Tags:
typical guest
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Name:
4,9-diaminodiamantane
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Preferred Abbreviation:
4,9-diaminodiamantane
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IUPAC Name:
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diamine
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CAS:
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CID:
397912
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InChiKey:
OQFGCBHYTPVGEY-UHFFFAOYSA-N
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InChi:
InChI=1S/C14H22N2/c15-13-1-7-8-4-14(16)5-9(7)11(3-13)12(6-14)10(8)2-13/h7-12H,1-6,15-16H2
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CanoSmiles:
C1C2C3CC4(CC2C5CC1(CC3C5C4)N)N
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IsoSmiles:
C1C2C3CC4(CC2C5CC1(CC3C5C4)N)N