N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine

C14H18ClN — CID 115728338

IUPACN-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
SMILESCCC(NC1CC=CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN/c1-2-14(16-13-8-3-4-9-13)11-6-5-7-12(15)10-11/h3-7,10,13-14,16H,2,8-9H2,1H3
InChIKeyKOASLMAPVWWCJH-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.10
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine

N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine (PubChem CID 115728338) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
PubChem CID115728338
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC NameN-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
SMILESCCC(NC1CC=CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN/c1-2-14(16-13-8-3-4-9-13)11-6-5-7-12(15)10-11/h3-7,10,13-14,16H,2,8-9H2,1H3
InChIKeyKOASLMAPVWWCJH-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.10
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

4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998685
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
N-[1-(3-chlorophenyl)propyl]thian-3-amine
CID 62873445
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685
3-[1-(3-chlorophenyl)propylamino]cyclohexane-1-carboxylic acid
CID 65066383
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
CID 64762199

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine (CID 115728338) is N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine is CCC(NC1CC=CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine?
The InChIKey is KOASLMAPVWWCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-2-14(16-13-8-3-4-9-13)11-6-5-7-12(15)10-11/h3-7,10,13-14,16H,2,8-9H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine?
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine has a molecular weight of 235.76 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 115728338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).