(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride

C9H18ClN — CID 138987457

IUPAC(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@@H]2CCCCC[C@@H]21
InChIInChI=1S/C9H17N.ClH/c10-9-6-7-4-2-1-3-5-8(7)9;/h7-9H,1-6,10H2;1H/t7-,8-,9+;/m0./s1
InChIKeyKOMSOHFHDZEMBH-CTERPIQNSA-N
MW175.70 g/mol
LogP2.34
Rot. Bonds

About (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride

(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride (PubChem CID 138987457) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride.

Molecular Properties

Compound Name(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride
PubChem CID138987457
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@@H]2CCCCC[C@@H]21
InChIInChI=1S/C9H17N.ClH/c10-9-6-7-4-2-1-3-5-8(7)9;/h7-9H,1-6,10H2;1H/t7-,8-,9+;/m0./s1
InChIKeyKOMSOHFHDZEMBH-CTERPIQNSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride
CID 134690804
2-cyclohexylcycloheptan-1-amine
CID 62603079
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 18958568
(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 102461320
(2S,3S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 102239581
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 11378594
(1S,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 166642246
[(1R,7R,8S)-8-bicyclo[5.2.0]nonanyl]methanol
CID 176573331
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,6-diamine
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Frequently Asked Questions

What is the IUPAC name of (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride?
The IUPAC name of (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride (CID 138987457) is (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride.
What is the SMILES notation for (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride?
The canonical SMILES for (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride is Cl.N[C@@H]1C[C@@H]2CCCCC[C@@H]21.
What is the InChIKey of (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride?
The InChIKey is KOMSOHFHDZEMBH-CTERPIQNSA-N. The full InChI is InChI=1S/C9H17N.ClH/c10-9-6-7-4-2-1-3-5-8(7)9;/h7-9H,1-6,10H2;1H/t7-,8-,9+;/m0./s1.
What are the key properties of (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride?
(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride is sourced from PubChem (CID 138987457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).