1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine

C18H29N — CID 43484998

IUPAC1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H29N/c1-14(2)13-18(19-3)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-12,14-15,18-19H,4-8,13H2,1-3H3
InChIKeyZMNPPBIUBJYRIC-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.04
Rot. Bonds5

About 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine

1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine (PubChem CID 43484998) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
PubChem CID43484998
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H29N/c1-14(2)13-18(19-3)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-12,14-15,18-19H,4-8,13H2,1-3H3
InChIKeyZMNPPBIUBJYRIC-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
CID 105045068
4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile
CID 116955276
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
3-(4-cyclopropylphenyl)-3-(methylamino)propan-1-ol
CID 79977505
1-(4-cyclohexylphenyl)-N-methylpropan-2-amine
CID 82262296
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
[1-(4-cyclobutylphenyl)-2-cycloheptylethyl]hydrazine
CID 105338120

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine (CID 43484998) is 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is ZMNPPBIUBJYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)13-18(19-3)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-12,14-15,18-19H,4-8,13H2,1-3H3.
What are the key properties of 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine?
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 43484998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).