[2-(2-methylazetidin-1-yl)cyclohexyl]methanamine

C11H22N2 — CID 79677584

IUPAC[2-(2-methylazetidin-1-yl)cyclohexyl]methanamine
SMILESCC1CCN1C1CCCCC1CN
InChIInChI=1S/C11H22N2/c1-9-6-7-13(9)11-5-3-2-4-10(11)8-12/h9-11H,2-8,12H2,1H3
InChIKeyGHZZWQWJVHDYCS-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds2

About [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine

[2-(2-methylazetidin-1-yl)cyclohexyl]methanamine (PubChem CID 79677584) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylazetidin-1-yl)cyclohexyl]methanamine
PubChem CID79677584
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name[2-(2-methylazetidin-1-yl)cyclohexyl]methanamine
SMILESCC1CCN1C1CCCCC1CN
InChIInChI=1S/C11H22N2/c1-9-6-7-13(9)11-5-3-2-4-10(11)8-12/h9-11H,2-8,12H2,1H3
InChIKeyGHZZWQWJVHDYCS-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine (CID 79677584) is [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine is CC1CCN1C1CCCCC1CN.
What is the InChIKey of [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine?
The InChIKey is GHZZWQWJVHDYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-6-7-13(9)11-5-3-2-4-10(11)8-12/h9-11H,2-8,12H2,1H3.
What are the key properties of [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine?
[2-(2-methylazetidin-1-yl)cyclohexyl]methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylazetidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 79677584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).