1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine

C14H28N2O — CID 106872752

IUPAC1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCCC2CCC2)C1
InChIInChI=1S/C14H28N2O/c1-17-13-6-3-8-14(10-13,11-15)16-9-7-12-4-2-5-12/h12-13,16H,2-11,15H2,1H3
InChIKeyMIABLJDZWSNLNW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.05
Rot. Bonds6

About 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine

1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine (PubChem CID 106872752) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine
PubChem CID106872752
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCCC2CCC2)C1
InChIInChI=1S/C14H28N2O/c1-17-13-6-3-8-14(10-13,11-15)16-9-7-12-4-2-5-12/h12-13,16H,2-11,15H2,1H3
InChIKeyMIABLJDZWSNLNW-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-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

Related Compounds

1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol
CID 106822123
2-[3-methoxy-1-(propylamino)cyclohexyl]acetic acid
CID 106874590
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 114153855
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207
1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine
CID 102697177
1-(aminomethyl)-N-(2-cyclobutylethyl)-2,4-dimethylcyclohexan-1-amine
CID 113478719
1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine
CID 106872628
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 106173193
1-(aminomethyl)-3-propan-2-yl-N-propylcyclohexan-1-amine
CID 107449080
4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
CID 106841176

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine (CID 106872752) is 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine is COC1CCCC(CN)(NCCC2CCC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine?
The InChIKey is MIABLJDZWSNLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-13-6-3-8-14(10-13,11-15)16-9-7-12-4-2-5-12/h12-13,16H,2-11,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine?
1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 106872752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).