4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine

C17H27N — CID 81024739

IUPAC4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCC1CCCC1)c1ccccc1
InChIInChI=1S/C17H27N/c1-2-18-14-17(16-10-4-3-5-11-16)13-12-15-8-6-7-9-15/h3-5,10-11,15,17-18H,2,6-9,12-14H2,1H3
InChIKeyMMGQHYWGNBRAKY-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.35
Rot. Bonds7

About 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine

4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine (PubChem CID 81024739) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
PubChem CID81024739
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCC1CCCC1)c1ccccc1
InChIInChI=1S/C17H27N/c1-2-18-14-17(16-10-4-3-5-11-16)13-12-15-8-6-7-9-15/h3-5,10-11,15,17-18H,2,6-9,12-14H2,1H3
InChIKeyMMGQHYWGNBRAKY-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine
CID 81027801
2-(4-chlorophenyl)-4-cyclopentyl-N-methylbutan-1-amine
CID 114192541
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
5-ethoxy-N-ethyl-2-phenylpentan-1-amine
CID 65430782
N-(cyclopentylmethyl)-N'-ethyl-N-methyl-1-phenylethane-1,2-diamine
CID 63655923
3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441698
2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 79441863
2-(2-cyclopentylethylamino)-1-phenylethanol
CID 60733935
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
CID 106204975
1-cyclohexylpentan-2-ylbenzene
CID 139744385
2-(2-cyclohexylethylamino)-1-phenylethanol
CID 60752779

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine (CID 81024739) is 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine is CCNCC(CCC1CCCC1)c1ccccc1.
What is the InChIKey of 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is MMGQHYWGNBRAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-18-14-17(16-10-4-3-5-11-16)13-12-15-8-6-7-9-15/h3-5,10-11,15,17-18H,2,6-9,12-14H2,1H3.
What are the key properties of 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine?
4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 81024739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).