N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine

C19H31N — CID 43734674

IUPACN-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
SMILESCCC(CC)C(NCC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H31N/c1-3-17(4-2)19(18-13-9-6-10-14-18)20-15-16-11-7-5-8-12-16/h6,9-10,13-14,16-17,19-20H,3-5,7-8,11-12,15H2,1-2H3
InChIKeyJMOLDDSUPYXRQC-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.33
Rot. Bonds7

About N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine

N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine (PubChem CID 43734674) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
PubChem CID43734674
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine
SMILESCCC(CC)C(NCC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H31N/c1-3-17(4-2)19(18-13-9-6-10-14-18)20-15-16-11-7-5-8-12-16/h6,9-10,13-14,16-17,19-20H,3-5,7-8,11-12,15H2,1-2H3
InChIKeyJMOLDDSUPYXRQC-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
N-benzyl-2-ethyl-1-phenylbutan-1-amine
CID 43734682
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
N-cyclopentyloxy-1-phenylpropan-1-amine
CID 83228943
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
N-(cyclohexylmethyl)-1-(furan-2-yl)propan-1-amine
CID 62633963
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
[1-(cyclohexylmethylperoxy)-2-methylbutyl]benzene
CID 58031035

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine (CID 43734674) is N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine is CCC(CC)C(NCC1CCCCC1)c1ccccc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine?
The InChIKey is JMOLDDSUPYXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-17(4-2)19(18-13-9-6-10-14-18)20-15-16-11-7-5-8-12-16/h6,9-10,13-14,16-17,19-20H,3-5,7-8,11-12,15H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine?
N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-ethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 43734674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).