1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine

C16H25N — CID 105049307

IUPAC1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
SMILESCCNC(C1CCC1)C(CC)c1ccccc1
InChIInChI=1S/C16H25N/c1-3-15(13-9-6-5-7-10-13)16(17-4-2)14-11-8-12-14/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3
InChIKeyJMAVSXUFZGNBIM-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.96
Rot. Bonds6

About 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine

1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine (PubChem CID 105049307) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
PubChem CID105049307
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine
SMILESCCNC(C1CCC1)C(CC)c1ccccc1
InChIInChI=1S/C16H25N/c1-3-15(13-9-6-5-7-10-13)16(17-4-2)14-11-8-12-14/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3
InChIKeyJMAVSXUFZGNBIM-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-cyclobutyl-2-phenylbutyl)hydrazine
CID 105340158
N-ethyl-1-(2-ethylcyclohexyl)-2-phenylbutan-1-amine
CID 115862425
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
[1-(3-ethylcyclohexyl)-2-phenylbutyl]hydrazine
CID 105313742
1-cyclohexyl-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773025
N-ethyl-1-(oxolan-2-yl)-5-phenylheptan-4-amine
CID 104992984
N-ethyl-3-phenylheptan-4-amine
CID 83051533
N-ethyl-1-(furan-3-yl)-2-phenylbutan-1-amine
CID 115855374
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
1-cyclobutylethylbenzene
CID 22024745

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine (CID 105049307) is 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine is CCNC(C1CCC1)C(CC)c1ccccc1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is JMAVSXUFZGNBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-15(13-9-6-5-7-10-13)16(17-4-2)14-11-8-12-14/h5-7,9-10,14-17H,3-4,8,11-12H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine?
1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 105049307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).