5-iminopent-1-en-3-amine

C5H10N2 — CID 91588236

IUPAC5-iminopent-1-en-3-amine
SMILES[H]/N=C/CC(N)C=C
InChIInChI=1S/C5H10N2/c1-2-5(7)3-4-6/h2,4-6H,1,3,7H2/b6-4+
InChIKeyWTXSEODKDOSMME-GQCTYLIASA-N
MW98.15 g/mol
LogP0.54
Rot. Bonds3

About 5-iminopent-1-en-3-amine

5-iminopent-1-en-3-amine (PubChem CID 91588236) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 5-iminopent-1-en-3-amine.

Molecular Properties

Compound Name5-iminopent-1-en-3-amine
PubChem CID91588236
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name5-iminopent-1-en-3-amine
SMILES[H]/N=C/CC(N)C=C
InChIInChI=1S/C5H10N2/c1-2-5(7)3-4-6/h2,4-6H,1,3,7H2/b6-4+
InChIKeyWTXSEODKDOSMME-GQCTYLIASA-N
XLogP0.54
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-iminopent-1-en-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

3,4-Dihydropyridin-4-amine
CID 53872884
7-Iminohept-2-en-1-amine
CID 91081124
6-Iminohex-3-en-2-amine
CID 138659587
5-Methyliminopent-1-en-3-amine
CID 143835644
5-Imino-4-methanimidoylpent-1-en-3-amine
CID 144168483
[(Z)-2-amino-1-iminohex-4-en-3-yl]azanide
CID 145692929
(E)-1-iminohex-4-en-2-amine
CID 170634209
1-(Bromomethylimino)but-3-en-2-amine
CID 173912765
(Z)-1-iminohex-4-ene-2,3-diamine
CID 145692930

Frequently Asked Questions

What is the IUPAC name of 5-iminopent-1-en-3-amine?
The IUPAC name of 5-iminopent-1-en-3-amine (CID 91588236) is 5-iminopent-1-en-3-amine.
What is the SMILES notation for 5-iminopent-1-en-3-amine?
The canonical SMILES for 5-iminopent-1-en-3-amine is [H]/N=C/CC(N)C=C.
What is the InChIKey of 5-iminopent-1-en-3-amine?
The InChIKey is WTXSEODKDOSMME-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2/c1-2-5(7)3-4-6/h2,4-6H,1,3,7H2/b6-4+.
What are the key properties of 5-iminopent-1-en-3-amine?
5-iminopent-1-en-3-amine has a molecular weight of 98.15 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminopent-1-en-3-amine is sourced from PubChem (CID 91588236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).