N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine

C16H23N — CID 103843122

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NCCC1=CCCC1)c1ccccc1
InChIInChI=1S/C16H23N/c1-2-16(15-10-4-3-5-11-15)17-13-12-14-8-6-7-9-14/h3-5,8,10-11,16-17H,2,6-7,9,12-13H2,1H3
InChIKeySIKMKICAKFPQHX-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.23
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine (PubChem CID 103843122) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
PubChem CID103843122
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
SMILESCCC(NCCC1=CCCC1)c1ccccc1
InChIInChI=1S/C16H23N/c1-2-16(15-10-4-3-5-11-15)17-13-12-14-8-6-7-9-14/h3-5,8,10-11,16-17H,2,6-7,9,12-13H2,1H3
InChIKeySIKMKICAKFPQHX-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 106169208
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43766332
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide
CID 54815769
N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106173196
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
1-(2-phenylbutyl)cycloheptene
CID 143290808

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine (CID 103843122) is N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine is CCC(NCCC1=CCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine?
The InChIKey is SIKMKICAKFPQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-16(15-10-4-3-5-11-15)17-13-12-14-8-6-7-9-14/h3-5,8,10-11,16-17H,2,6-7,9,12-13H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 103843122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).