2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine

C17H27N — CID 113483440

IUPAC2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
SMILESCCC1CCCC1NCCC(C)c1ccccc1
InChIInChI=1S/C17H27N/c1-3-15-10-7-11-17(15)18-13-12-14(2)16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,3,7,10-13H2,1-2H3
InChIKeyHGESWBCXSYJZGR-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.35
Rot. Bonds6

About 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine

2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine (PubChem CID 113483440) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
PubChem CID113483440
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
SMILESCCC1CCCC1NCCC(C)c1ccccc1
InChIInChI=1S/C17H27N/c1-3-15-10-7-11-17(15)18-13-12-14(2)16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,3,7,10-13H2,1-2H3
InChIKeyHGESWBCXSYJZGR-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

2-methyl-N-(3-phenylbutyl)thian-3-amine
CID 79956785
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
(2R)-4-[[(1S,2S)-2-ethylcyclohexyl]amino]butan-2-ol
CID 96784202
N-(2,2-diphenylethyl)-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
CID 67990569
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
N-(3-phenylbutyl)thian-3-amine
CID 62988894
N-(3-phenylbutyl)spiro[3.5]nonan-3-amine
CID 102951873
2,2,3,3-tetramethyl-N-(3-phenylbutyl)cyclopropan-1-amine
CID 79351956

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine?
The IUPAC name of 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine (CID 113483440) is 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine is CCC1CCCC1NCCC(C)c1ccccc1.
What is the InChIKey of 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine?
The InChIKey is HGESWBCXSYJZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-15-10-7-11-17(15)18-13-12-14(2)16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,3,7,10-13H2,1-2H3.
What are the key properties of 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine?
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 113483440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).