[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol

C9H19NO — CID 131020197

IUPAC[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol
SMILESCN(C)[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C9H19NO/c1-10(2)9-5-3-4-8(6-9)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeySRKFMHZSKROKPX-DTWKUNHWSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds2

About [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol

[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol (PubChem CID 131020197) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol
PubChem CID131020197
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol
SMILESCN(C)[C@@H]1CCC[C@H](CO)C1
InChIInChI=1S/C9H19NO/c1-10(2)9-5-3-4-8(6-9)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeySRKFMHZSKROKPX-DTWKUNHWSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
N,N-dimethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclohexan-1-amine
CID 155794064
cyclobutylmethanol;ethanol
CID 68532840
trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
CID 91701319
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
[(3S)-3-aminocyclohexyl]methanol
CID 131334541
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
[(1R,3S)-3-[(dimethylamino)methyl]cyclopentyl]methanol
CID 146502695
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol?
The IUPAC name of [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol (CID 131020197) is [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol.
What is the SMILES notation for [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol?
The canonical SMILES for [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol is CN(C)[C@@H]1CCC[C@H](CO)C1.
What is the InChIKey of [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol?
The InChIKey is SRKFMHZSKROKPX-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-10(2)9-5-3-4-8(6-9)7-11/h8-9,11H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol?
[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(dimethylamino)cyclohexyl]methanol is sourced from PubChem (CID 131020197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).