4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine

C12H24N2O2 — CID 79677475

IUPAC4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N2CC(OC)(OC)C2)CC1
InChIInChI=1S/C12H24N2O2/c1-13-10-4-6-11(7-5-10)14-8-12(9-14,15-2)16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyIYKMMCTVYJUEHN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds4

About 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine

4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 79677475) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine
PubChem CID79677475
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N2CC(OC)(OC)C2)CC1
InChIInChI=1S/C12H24N2O2/c1-13-10-4-6-11(7-5-10)14-8-12(9-14,15-2)16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyIYKMMCTVYJUEHN-UHFFFAOYSA-N
XLogP0.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-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-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine (CID 79677475) is 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine is CNC1CCC(N2CC(OC)(OC)C2)CC1.
What is the InChIKey of 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is IYKMMCTVYJUEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13-10-4-6-11(7-5-10)14-8-12(9-14,15-2)16-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine?
4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethoxyazetidin-1-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 79677475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).