N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine

C15H30N2O — CID 55065898

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N(C)CC2(CN)CCOCC2)C1
InChIInChI=1S/C15H30N2O/c1-13-4-3-5-14(10-13)17(2)12-15(11-16)6-8-18-9-7-15/h13-14H,3-12,16H2,1-2H3
InChIKeyJPQVVSWRCYRLJK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds4

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine (PubChem CID 55065898) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
PubChem CID55065898
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N(C)CC2(CN)CCOCC2)C1
InChIInChI=1S/C15H30N2O/c1-13-4-3-5-14(10-13)17(2)12-15(11-16)6-8-18-9-7-15/h13-14H,3-12,16H2,1-2H3
InChIKeyJPQVVSWRCYRLJK-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-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 N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine (CID 55065898) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine is CC1CCCC(N(C)CC2(CN)CCOCC2)C1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine?
The InChIKey is JPQVVSWRCYRLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-4-3-5-14(10-13)17(2)12-15(11-16)6-8-18-9-7-15/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55065898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).