1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine

C18H29N — CID 63418081

IUPAC1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-18(4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h6,9-10,13-15,17H,3-5,7-8,11-12,19H2,1-2H3
InChIKeyLVQDDMZEYALDHU-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.65
Rot. Bonds5

About 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine

1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine (PubChem CID 63418081) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
PubChem CID63418081
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-18(4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h6,9-10,13-15,17H,3-5,7-8,11-12,19H2,1-2H3
InChIKeyLVQDDMZEYALDHU-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
CID 63417640
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
1-(4-ethylcyclohexyl)-2-methyl-2-phenylpropan-1-amine
CID 64775859
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
1-cyclopropyl-N,3-diethyl-3-phenylpentan-2-amine
CID 64903846
2-ethyl-N-methyl-1-(4-methylcyclohexyl)-2-phenylbutan-1-amine
CID 64774837
[2-ethyl-1-(oxolan-3-yl)-2-phenylbutyl]hydrazine
CID 105217689
cyclohexyl(phenyl)methanamine
CID 11064121
1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064562
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine
CID 107897391
1-cyclohexyl-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64767965

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine (CID 63418081) is 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine is CCC(CC)(c1ccccc1)C(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine?
The InChIKey is LVQDDMZEYALDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-18(4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h6,9-10,13-15,17H,3-5,7-8,11-12,19H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine?
1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 63418081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).