3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine

C14H19N — CID 65174640

IUPAC3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine
SMILESCc1ccc(CC2=CC(N)CC2)cc1C
InChIInChI=1S/C14H19N/c1-10-3-4-12(7-11(10)2)8-13-5-6-14(15)9-13/h3-4,7,9,14H,5-6,8,15H2,1-2H3
InChIKeyRIKGBFRLVPCQRZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.89
Rot. Bonds2

About 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine

3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine (PubChem CID 65174640) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine
PubChem CID65174640
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine
SMILESCc1ccc(CC2=CC(N)CC2)cc1C
InChIInChI=1S/C14H19N/c1-10-3-4-12(7-11(10)2)8-13-5-6-14(15)9-13/h3-4,7,9,14H,5-6,8,15H2,1-2H3
InChIKeyRIKGBFRLVPCQRZ-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine (CID 65174640) is 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine is Cc1ccc(CC2=CC(N)CC2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine?
The InChIKey is RIKGBFRLVPCQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-3-4-12(7-11(10)2)8-13-5-6-14(15)9-13/h3-4,7,9,14H,5-6,8,15H2,1-2H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine?
3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 65174640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).