[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride

C8H18ClNO — CID 17039395

IUPAC[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
SMILESC[C@]1(N)CCCC[C@H]1CO.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(9)5-3-2-4-7(8)6-10;/h7,10H,2-6,9H2,1H3;1H/t7-,8-;/m0./s1
InChIKeyPYACCMCUCGVBDM-WSZWBAFRSA-N
MW179.69 g/mol
LogP1.31
Rot. Bonds1

About [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride

[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride (PubChem CID 17039395) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
PubChem CID17039395
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
SMILESC[C@]1(N)CCCC[C@H]1CO.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(9)5-3-2-4-7(8)6-10;/h7,10H,2-6,9H2,1H3;1H/t7-,8-;/m0./s1
InChIKeyPYACCMCUCGVBDM-WSZWBAFRSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494
[2-methyl-2-(methylamino)cyclohexyl]methanol;hydrochloride
CID 53396844
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
2-N,1-dimethylcyclohexane-1,2-diamine;hydrochloride
CID 172765796
1-(2,2-dimethylpropylamino)-2-(hydroxymethyl)cyclohexan-1-ol
CID 58488611
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
2-[3-(2-amino-3-methylcyclohexyl)propyl]-1-methylcyclohexan-1-amine
CID 71371143
[(1S)-2,2-dimethylcyclobutyl]methanol
CID 129404662
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
2-fluoro-1-methylcyclooctan-1-amine
CID 166879291
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride?
The IUPAC name of [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride (CID 17039395) is [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride.
What is the SMILES notation for [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride?
The canonical SMILES for [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride is C[C@]1(N)CCCC[C@H]1CO.Cl.
What is the InChIKey of [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride?
The InChIKey is PYACCMCUCGVBDM-WSZWBAFRSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(9)5-3-2-4-7(8)6-10;/h7,10H,2-6,9H2,1H3;1H/t7-,8-;/m0./s1.
What are the key properties of [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride?
[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride is sourced from PubChem (CID 17039395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).