1-[(2-methylcyclohexyl)methyl]azetidin-3-ol

C11H21NO — CID 131175766

IUPAC1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
SMILESCC1CCCCC1CN1CC(O)C1
InChIInChI=1S/C11H21NO/c1-9-4-2-3-5-10(9)6-12-7-11(13)8-12/h9-11,13H,2-8H2,1H3
InChIKeyJBWSVCAXMGVWLK-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.49
Rot. Bonds2

About 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol

1-[(2-methylcyclohexyl)methyl]azetidin-3-ol (PubChem CID 131175766) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
PubChem CID131175766
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
SMILESCC1CCCCC1CN1CC(O)C1
InChIInChI=1S/C11H21NO/c1-9-4-2-3-5-10(9)6-12-7-11(13)8-12/h9-11,13H,2-8H2,1H3
InChIKeyJBWSVCAXMGVWLK-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(2-methylcyclohexyl)methyl]piperidin-4-amine
CID 163161369
[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 79181049
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-3-amine
CID 107420790
N-methyl-1-[(2-methylcyclopentyl)methyl]piperidin-4-amine
CID 107418810
1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol
CID 130993601
1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968406
3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
CID 64944041
N-cyclopropyl-1-[(2-methylcyclopentyl)methyl]pyrrolidin-3-amine
CID 107420794
6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
CID 107420452
6-methyl-1-[(2-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122084191
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
[3-methyl-1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780293

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol (CID 131175766) is 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol is CC1CCCCC1CN1CC(O)C1.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol?
The InChIKey is JBWSVCAXMGVWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-4-2-3-5-10(9)6-12-7-11(13)8-12/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol?
1-[(2-methylcyclohexyl)methyl]azetidin-3-ol has a molecular weight of 183.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]azetidin-3-ol is sourced from PubChem (CID 131175766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).