4-(aminomethyl)cyclopent-2-en-1-amine

C6H12N2 — CID 79211626

IUPAC4-(aminomethyl)cyclopent-2-en-1-amine
SMILESNCC1C=CC(N)C1
InChIInChI=1S/C6H12N2/c7-4-5-1-2-6(8)3-5/h1-2,5-6H,3-4,7-8H2
InChIKeyKELACAARXUFEQI-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.15
Rot. Bonds1

About 4-(aminomethyl)cyclopent-2-en-1-amine

4-(aminomethyl)cyclopent-2-en-1-amine (PubChem CID 79211626) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-(aminomethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(aminomethyl)cyclopent-2-en-1-amine
PubChem CID79211626
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-(aminomethyl)cyclopent-2-en-1-amine
SMILESNCC1C=CC(N)C1
InChIInChI=1S/C6H12N2/c7-4-5-1-2-6(8)3-5/h1-2,5-6H,3-4,7-8H2
InChIKeyKELACAARXUFEQI-UHFFFAOYSA-N
XLogP-0.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-(aminomethyl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(aminomethyl)cyclopent-2-en-1-amine (CID 79211626) is 4-(aminomethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(aminomethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(aminomethyl)cyclopent-2-en-1-amine is NCC1C=CC(N)C1.
What is the InChIKey of 4-(aminomethyl)cyclopent-2-en-1-amine?
The InChIKey is KELACAARXUFEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-4-5-1-2-6(8)3-5/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 4-(aminomethyl)cyclopent-2-en-1-amine?
4-(aminomethyl)cyclopent-2-en-1-amine has a molecular weight of 112.18 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79211626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).