4-ethylcyclopent-2-en-1-amine

C7H13N — CID 123435445

IUPAC4-ethylcyclopent-2-en-1-amine
SMILESCCC1C=CC(N)C1
InChIInChI=1S/C7H13N/c1-2-6-3-4-7(8)5-6/h3-4,6-7H,2,5,8H2,1H3
InChIKeyMOMSGZLYFKPDLE-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds1

About 4-ethylcyclopent-2-en-1-amine

4-ethylcyclopent-2-en-1-amine (PubChem CID 123435445) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-ethylcyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-ethylcyclopent-2-en-1-amine
PubChem CID123435445
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4-ethylcyclopent-2-en-1-amine
SMILESCCC1C=CC(N)C1
InChIInChI=1S/C7H13N/c1-2-6-3-4-7(8)5-6/h3-4,6-7H,2,5,8H2,1H3
InChIKeyMOMSGZLYFKPDLE-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
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 4-ethylcyclopent-2-en-1-amine?
The IUPAC name of 4-ethylcyclopent-2-en-1-amine (CID 123435445) is 4-ethylcyclopent-2-en-1-amine.
What is the SMILES notation for 4-ethylcyclopent-2-en-1-amine?
The canonical SMILES for 4-ethylcyclopent-2-en-1-amine is CCC1C=CC(N)C1.
What is the InChIKey of 4-ethylcyclopent-2-en-1-amine?
The InChIKey is MOMSGZLYFKPDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-6-3-4-7(8)5-6/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 4-ethylcyclopent-2-en-1-amine?
4-ethylcyclopent-2-en-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylcyclopent-2-en-1-amine is sourced from PubChem (CID 123435445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).