1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine

C13H26N2O — CID 115677941

IUPAC1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine
SMILESCN(C)C1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-15(2)13-5-3-4-12(10-13)14-11-6-8-16-9-7-11/h11-14H,3-10H2,1-2H3
InChIKeyGHPLSUBDDXOMBG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds3

About 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine

1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine (PubChem CID 115677941) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine
PubChem CID115677941
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine
SMILESCN(C)C1CCCC(NC2CCOCC2)C1
InChIInChI=1S/C13H26N2O/c1-15(2)13-5-3-4-12(10-13)14-11-6-8-16-9-7-11/h11-14H,3-10H2,1-2H3
InChIKeyGHPLSUBDDXOMBG-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine 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 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine (CID 115677941) is 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine is CN(C)C1CCCC(NC2CCOCC2)C1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine?
The InChIKey is GHPLSUBDDXOMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(2)13-5-3-4-12(10-13)14-11-6-8-16-9-7-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(oxan-4-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 115677941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).