trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride

C9H20ClN — CID 169426294

IUPACtrans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
SMILESCC(C)[C@@H]1CCCC[C@H]1N.Cl
InChIInChI=1S/C9H19N.ClH/c1-7(2)8-5-3-4-6-9(8)10;/h7-9H,3-6,10H2,1-2H3;1H/t8-,9+;/m0./s1
InChIKeyOBRPEUCVXOMUMO-OULXEKPRSA-N
MW177.72 g/mol
LogP2.58
Rot. Bonds1

About trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride

trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride (PubChem CID 169426294) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
PubChem CID169426294
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Nametrans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
SMILESCC(C)[C@@H]1CCCC[C@H]1N.Cl
InChIInChI=1S/C9H19N.ClH/c1-7(2)8-5-3-4-6-9(8)10;/h7-9H,3-6,10H2,1-2H3;1H/t8-,9+;/m0./s1
InChIKeyOBRPEUCVXOMUMO-OULXEKPRSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-aminocyclononyl)ethanol
CID 123398875
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
2-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 16727057
2-[(1S,2R)-2-aminocyclohexyl]propanoic acid
CID 130898751
1,1-difluoro-3-methyl-2-propan-2-ylcyclohexane;methane;2-propan-2-ylcyclohexan-1-amine
CID 158364174
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
5-propan-2-ylazepan-4-amine
CID 84763761
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
CID 59105659
2-propan-2-ylcyclohexane-1-thiol
CID 44558420
3-(2-propan-2-ylcyclohexyl)propan-1-amine
CID 84732620
2-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 115625051

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride (CID 169426294) is trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride is CC(C)[C@@H]1CCCC[C@H]1N.Cl.
What is the InChIKey of trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride?
The InChIKey is OBRPEUCVXOMUMO-OULXEKPRSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-7(2)8-5-3-4-6-9(8)10;/h7-9H,3-6,10H2,1-2H3;1H/t8-,9+;/m0./s1.
What are the key properties of trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride?
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 169426294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).