N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine

C20H31N — CID 106830625

IUPACN-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1(C)CCCCC1
InChIInChI=1S/C20H31N/c1-3-21-19(20(2)14-5-4-6-15-20)18-12-10-17(11-13-18)16-8-7-9-16/h10-13,16,19,21H,3-9,14-15H2,1-2H3
InChIKeyNAEDYZOVSDAMOO-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.58
Rot. Bonds5

About N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine

N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106830625) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106830625
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1(C)CCCCC1
InChIInChI=1S/C20H31N/c1-3-21-19(20(2)14-5-4-6-15-20)18-12-10-17(11-13-18)16-8-7-9-16/h10-13,16,19,21H,3-9,14-15H2,1-2H3
InChIKeyNAEDYZOVSDAMOO-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine 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

N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
CID 105044882
1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 116506399
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880
N-[(1-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 105021674
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
2-cyclobutyl-N-ethyl-1-(1-methylcyclohexyl)ethanamine
CID 106830143
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025
N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826930

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106830625) is N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)C1(C)CCCCC1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is NAEDYZOVSDAMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-21-19(20(2)14-5-4-6-15-20)18-12-10-17(11-13-18)16-8-7-9-16/h10-13,16,19,21H,3-9,14-15H2,1-2H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 285.48 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106830625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).