1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine

C14H28N2O — CID 79066285

IUPAC1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)C2CCOCC2)CCCCC1
InChIInChI=1S/C14H28N2O/c1-16(2)14(8-4-3-5-9-14)13(15)12-6-10-17-11-7-12/h12-13H,3-11,15H2,1-2H3
InChIKeyJZCDYSIGEBQJKG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds3

About 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066285) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066285
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)C2CCOCC2)CCCCC1
InChIInChI=1S/C14H28N2O/c1-16(2)14(8-4-3-5-9-14)13(15)12-6-10-17-11-7-12/h12-13H,3-11,15H2,1-2H3
InChIKeyJZCDYSIGEBQJKG-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-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 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79066285) is 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)C2CCOCC2)CCCCC1.
What is the InChIKey of 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is JZCDYSIGEBQJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(2)14(8-4-3-5-9-14)13(15)12-6-10-17-11-7-12/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).