2-(5-methylfuran-2-yl)pent-4-en-2-amine

C10H15NO — CID 130059432

IUPAC2-(5-methylfuran-2-yl)pent-4-en-2-amine
SMILESC=CCC(C)(N)c1ccc(C)o1
InChIInChI=1S/C10H15NO/c1-4-7-10(3,11)9-6-5-8(2)12-9/h4-6H,1,7,11H2,2-3H3
InChIKeyQPKZALPFRWKWQS-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.34
Rot. Bonds3

About 2-(5-methylfuran-2-yl)pent-4-en-2-amine

2-(5-methylfuran-2-yl)pent-4-en-2-amine (PubChem CID 130059432) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)pent-4-en-2-amine
PubChem CID130059432
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(5-methylfuran-2-yl)pent-4-en-2-amine
SMILESC=CCC(C)(N)c1ccc(C)o1
InChIInChI=1S/C10H15NO/c1-4-7-10(3,11)9-6-5-8(2)12-9/h4-6H,1,7,11H2,2-3H3
InChIKeyQPKZALPFRWKWQS-UHFFFAOYSA-N
XLogP2.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-methylfuran-2-yl)pent-4-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)pent-4-en-2-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)pent-4-en-2-amine (CID 130059432) is 2-(5-methylfuran-2-yl)pent-4-en-2-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)pent-4-en-2-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)pent-4-en-2-amine is C=CCC(C)(N)c1ccc(C)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)pent-4-en-2-amine?
The InChIKey is QPKZALPFRWKWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-7-10(3,11)9-6-5-8(2)12-9/h4-6H,1,7,11H2,2-3H3.
What are the key properties of 2-(5-methylfuran-2-yl)pent-4-en-2-amine?
2-(5-methylfuran-2-yl)pent-4-en-2-amine has a molecular weight of 165.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)pent-4-en-2-amine is sourced from PubChem (CID 130059432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).