[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine

C14H19N — CID 65353601

IUPAC[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
SMILESCc1ccc(C2(CN)CC=CC2)cc1C
InChIInChI=1S/C14H19N/c1-11-5-6-13(9-12(11)2)14(10-15)7-3-4-8-14/h3-6,9H,7-8,10,15H2,1-2H3
InChIKeyWJIKNUUDBYXXCR-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.85
Rot. Bonds2

About [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine

[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine (PubChem CID 65353601) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
PubChem CID65353601
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
SMILESCc1ccc(C2(CN)CC=CC2)cc1C
InChIInChI=1S/C14H19N/c1-11-5-6-13(9-12(11)2)14(10-15)7-3-4-8-14/h3-6,9H,7-8,10,15H2,1-2H3
InChIKeyWJIKNUUDBYXXCR-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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 [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine?
The IUPAC name of [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine (CID 65353601) is [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine?
The canonical SMILES for [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine is Cc1ccc(C2(CN)CC=CC2)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine?
The InChIKey is WJIKNUUDBYXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-5-6-13(9-12(11)2)14(10-15)7-3-4-8-14/h3-6,9H,7-8,10,15H2,1-2H3.
What are the key properties of [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine?
[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine has a molecular weight of 201.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine is sourced from PubChem (CID 65353601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).