1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol

C11H22N2O — CID 82398069

IUPAC1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol
SMILESCC1CCC(CN)(N2CC(O)C2)CC1
InChIInChI=1S/C11H22N2O/c1-9-2-4-11(8-12,5-3-9)13-6-10(14)7-13/h9-10,14H,2-8,12H2,1H3
InChIKeyQTHYYYDSUSRCPR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.57
Rot. Bonds2

About 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol

1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol (PubChem CID 82398069) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol
PubChem CID82398069
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol
SMILESCC1CCC(CN)(N2CC(O)C2)CC1
InChIInChI=1S/C11H22N2O/c1-9-2-4-11(8-12,5-3-9)13-6-10(14)7-13/h9-10,14H,2-8,12H2,1H3
InChIKeyQTHYYYDSUSRCPR-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392846
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(3,5-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661002
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
[1-(4-butan-2-ylpiperazin-1-yl)-4-methylcyclohexyl]methanamine
CID 62775189
4-(aminomethyl)-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 105451787
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcyclohexyl]methanamine
CID 79932333
[1-(2-ethylmorpholin-4-yl)-4-methylcyclohexyl]methanamine
CID 43562544
[4-methyl-1-(3-methylazetidin-1-yl)cyclohexyl]methanol
CID 104549467
[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611
[1-(3,5-dimethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43080333
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol (CID 82398069) is 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol is CC1CCC(CN)(N2CC(O)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol?
The InChIKey is QTHYYYDSUSRCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-2-4-11(8-12,5-3-9)13-6-10(14)7-13/h9-10,14H,2-8,12H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol?
1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcyclohexyl]azetidin-3-ol is sourced from PubChem (CID 82398069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).