N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine

C17H25N — CID 114153908

IUPACN-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
SMILESC1=C(CCNCCCCc2ccccc2)CCC1
InChIInChI=1S/C17H25N/c1-2-8-16(9-3-1)12-6-7-14-18-15-13-17-10-4-5-11-17/h1-3,8-10,18H,4-7,11-15H2
InChIKeyQPLSHTJWMVTGSM-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.10
Rot. Bonds8

About N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine

N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine (PubChem CID 114153908) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
PubChem CID114153908
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
SMILESC1=C(CCNCCCCc2ccccc2)CCC1
InChIInChI=1S/C17H25N/c1-2-8-16(9-3-1)12-6-7-14-18-15-13-17-10-4-5-11-17/h1-3,8-10,18H,4-7,11-15H2
InChIKeyQPLSHTJWMVTGSM-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopenten-1-yl)ethylbenzene
CID 57211956
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
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CID 109014685
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 79003964
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
2-(cyclohexen-1-yl)-N-[[3-[[2-(cyclohexen-1-yl)ethylamino]methyl]phenyl]methyl]ethanamine
CID 142601205
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine (CID 114153908) is N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine is C1=C(CCNCCCCc2ccccc2)CCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine?
The InChIKey is QPLSHTJWMVTGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-8-16(9-3-1)12-6-7-14-18-15-13-17-10-4-5-11-17/h1-3,8-10,18H,4-7,11-15H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.10, 8 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]-4-phenylbutan-1-amine is sourced from PubChem (CID 114153908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).