1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine

C20H33N — CID 63417640

IUPAC1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
SMILESCCNC(C1CCCCC1)C(CC)(CC)c1ccccc1
InChIInChI=1S/C20H33N/c1-4-20(5-2,18-15-11-8-12-16-18)19(21-6-3)17-13-9-7-10-14-17/h8,11-12,15-17,19,21H,4-7,9-10,13-14H2,1-3H3
InChIKeyPRXJGXMMLBDOFA-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.30
Rot. Bonds7

About 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine

1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine (PubChem CID 63417640) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
PubChem CID63417640
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
SMILESCCNC(C1CCCCC1)C(CC)(CC)c1ccccc1
InChIInChI=1S/C20H33N/c1-4-20(5-2,18-15-11-8-12-16-18)19(21-6-3)17-13-9-7-10-14-17/h8,11-12,15-17,19,21H,4-7,9-10,13-14H2,1-3H3
InChIKeyPRXJGXMMLBDOFA-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
CID 63418081
1-cyclopropyl-N,3-diethyl-3-phenylpentan-2-amine
CID 64903846
2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine
CID 64774837
1-cyclopentyl-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 55187961
1-cyclohexyl-N-ethyl-2,2,2-trifluoroethanamine
CID 66205359
N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine
CID 82932692
[2-ethyl-1-(oxolan-3-yl)-2-phenylbutyl]hydrazine
CID 105217689
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
1-cyclohexyl-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773025
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine?
The IUPAC name of 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine (CID 63417640) is 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine is CCNC(C1CCCCC1)C(CC)(CC)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine?
The InChIKey is PRXJGXMMLBDOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-20(5-2,18-15-11-8-12-16-18)19(21-6-3)17-13-9-7-10-14-17/h8,11-12,15-17,19,21H,4-7,9-10,13-14H2,1-3H3.
What are the key properties of 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine?
1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 63417640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).