N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine

C16H23N — CID 115728433

IUPACN-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine
SMILESCCCc1ccc(C(C)NC2CC=CC2)cc1
InChIInChI=1S/C16H23N/c1-3-6-14-9-11-15(12-10-14)13(2)17-16-7-4-5-8-16/h4-5,9-13,16-17H,3,6-8H2,1-2H3
InChIKeyJBDOIDNGVNSNKT-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.01
Rot. Bonds5

About N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine

N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine (PubChem CID 115728433) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine
PubChem CID115728433
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine
SMILESCCCc1ccc(C(C)NC2CC=CC2)cc1
InChIInChI=1S/C16H23N/c1-3-6-14-9-11-15(12-10-14)13(2)17-16-7-4-5-8-16/h4-5,9-13,16-17H,3,6-8H2,1-2H3
InChIKeyJBDOIDNGVNSNKT-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.01
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-[1-(4-propan-2-ylphenyl)ethyl]cyclopent-3-en-1-amine
CID 115728342
N-[1-(4-propylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849918
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745968
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
2,2-dimethyl-N-[1-(4-propylphenyl)ethyl]cyclohexan-1-amine
CID 79861249
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 113262702
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 60856073
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine (CID 115728433) is N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine is CCCc1ccc(C(C)NC2CC=CC2)cc1.
What is the InChIKey of N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine?
The InChIKey is JBDOIDNGVNSNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-6-14-9-11-15(12-10-14)13(2)17-16-7-4-5-8-16/h4-5,9-13,16-17H,3,6-8H2,1-2H3.
What are the key properties of N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine?
N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115728433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).