3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine

C24H33N — CID 58599580

IUPAC3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine
SMILESCC(NCCC(Cc1ccccc1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C24H33N/c1-20(22-13-7-3-8-14-22)25-18-17-24(23-15-9-4-10-16-23)19-21-11-5-2-6-12-21/h2-3,5-8,11-14,20,23-25H,4,9-10,15-19H2,1H3
InChIKeyNIGQUGHZWKELML-UHFFFAOYSA-N
MW335.54 g/mol
LogP6.17
Rot. Bonds8

About 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine

3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine (PubChem CID 58599580) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine
PubChem CID58599580
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Name3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine
SMILESCC(NCCC(Cc1ccccc1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C24H33N/c1-20(22-13-7-3-8-14-22)25-18-17-24(23-15-9-4-10-16-23)19-21-11-5-2-6-12-21/h2-3,5-8,11-14,20,23-25H,4,9-10,15-19H2,1H3
InChIKeyNIGQUGHZWKELML-UHFFFAOYSA-N
XLogP6.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine?
The IUPAC name of 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine (CID 58599580) is 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine.
What is the SMILES notation for 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine?
The canonical SMILES for 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine is CC(NCCC(Cc1ccccc1)C1CCCCC1)c1ccccc1.
What is the InChIKey of 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine?
The InChIKey is NIGQUGHZWKELML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c1-20(22-13-7-3-8-14-22)25-18-17-24(23-15-9-4-10-16-23)19-21-11-5-2-6-12-21/h2-3,5-8,11-14,20,23-25H,4,9-10,15-19H2,1H3.
What are the key properties of 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine?
3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine has a molecular weight of 335.54 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-phenyl-N-(1-phenylethyl)butan-1-amine is sourced from PubChem (CID 58599580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).