5-iminopenta-1,2-dien-1-amine

C5H8N2 — CID 176529133

IUPAC5-iminopenta-1,2-dien-1-amine
SMILES[H]/N=C/CC=C=CN
InChIInChI=1S/C5H8N2/c6-4-2-1-3-5-7/h1,4-6H,2,7H2/b6-4+
InChIKeyMESYXEQCBXOMQS-GQCTYLIASA-N
MW96.13 g/mol
LogP0.65
Rot. Bonds2

About 5-iminopenta-1,2-dien-1-amine

5-iminopenta-1,2-dien-1-amine (PubChem CID 176529133) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 5-iminopenta-1,2-dien-1-amine.

Molecular Properties

Compound Name5-iminopenta-1,2-dien-1-amine
PubChem CID176529133
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name5-iminopenta-1,2-dien-1-amine
SMILES[H]/N=C/CC=C=CN
InChIInChI=1S/C5H8N2/c6-4-2-1-3-5-7/h1,4-6H,2,7H2/b6-4+
InChIKeyMESYXEQCBXOMQS-GQCTYLIASA-N
XLogP0.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iminopenta-1,2-dien-1-amine?
The IUPAC name of 5-iminopenta-1,2-dien-1-amine (CID 176529133) is 5-iminopenta-1,2-dien-1-amine.
What is the SMILES notation for 5-iminopenta-1,2-dien-1-amine?
The canonical SMILES for 5-iminopenta-1,2-dien-1-amine is [H]/N=C/CC=C=CN.
What is the InChIKey of 5-iminopenta-1,2-dien-1-amine?
The InChIKey is MESYXEQCBXOMQS-GQCTYLIASA-N. The full InChI is InChI=1S/C5H8N2/c6-4-2-1-3-5-7/h1,4-6H,2,7H2/b6-4+.
What are the key properties of 5-iminopenta-1,2-dien-1-amine?
5-iminopenta-1,2-dien-1-amine has a molecular weight of 96.13 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminopenta-1,2-dien-1-amine is sourced from PubChem (CID 176529133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).