[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol

C12H23NO — CID 104549467

IUPAC[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol
SMILESCC1CCC(CO)(N2CC(C)C2)CC1
InChIInChI=1S/C12H23NO/c1-10-3-5-12(9-14,6-4-10)13-7-11(2)8-13/h10-11,14H,3-9H2,1-2H3
InChIKeyHUAHIBBVVCYCFX-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.88
Rot. Bonds2

About [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol

[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol (PubChem CID 104549467) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol
PubChem CID104549467
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol
SMILESCC1CCC(CO)(N2CC(C)C2)CC1
InChIInChI=1S/C12H23NO/c1-10-3-5-12(9-14,6-4-10)13-7-11(2)8-13/h10-11,14H,3-9H2,1-2H3
InChIKeyHUAHIBBVVCYCFX-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol
CID 82398069
2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980015
[1-(3-ethylazetidin-1-yl)-3-methylcyclohexyl]methanol
CID 104549543
1-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,6-dimethylpyridin-4-one
CID 79885059
2-[1-(azepan-1-yl)-4-methylcyclohexyl]acetic acid
CID 64527329
[(6R,8aS)-6-fluoro-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 175977713
4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235061
[4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392846
[1-(3,5-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661002
2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4H-isoquinoline-1,3-dione
CID 62526206
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol (CID 104549467) is [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol is CC1CCC(CO)(N2CC(C)C2)CC1.
What is the InChIKey of [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol?
The InChIKey is HUAHIBBVVCYCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-3-5-12(9-14,6-4-10)13-7-11(2)8-13/h10-11,14H,3-9H2,1-2H3.
What are the key properties of [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol?
[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol has a molecular weight of 197.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 104549467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).