4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine

C11H22N2O — CID 130547518

IUPAC4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine
SMILESCOC1CN(CC2CCC(N)CC2)C1
InChIInChI=1S/C11H22N2O/c1-14-11-7-13(8-11)6-9-2-4-10(12)5-3-9/h9-11H,2-8,12H2,1H3
InChIKeyXXSQVVNRVLNWAH-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds3

About 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine

4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 130547518) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID130547518
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine
SMILESCOC1CN(CC2CCC(N)CC2)C1
InChIInChI=1S/C11H22N2O/c1-14-11-7-13(8-11)6-9-2-4-10(12)5-3-9/h9-11H,2-8,12H2,1H3
InChIKeyXXSQVVNRVLNWAH-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine (CID 130547518) is 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine is COC1CN(CC2CCC(N)CC2)C1.
What is the InChIKey of 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is XXSQVVNRVLNWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-14-11-7-13(8-11)6-9-2-4-10(12)5-3-9/h9-11H,2-8,12H2,1H3.
What are the key properties of 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine?
4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyazetidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 130547518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).