(3E)-5-iminopenta-1,3-dien-3-amine

C5H8N2 — CID 143613476

IUPAC(3E)-5-iminopenta-1,3-dien-3-amine
SMILES[H]/N=C/C=C(/N)C=C
InChIInChI=1S/C5H8N2/c1-2-5(7)3-4-6/h2-4,6H,1,7H2/b5-3+,6-4+
InChIKeyUWWQASNVTVPHKN-GGWOSOGESA-N
MW96.13 g/mol
LogP0.66
Rot. Bonds2

About (3E)-5-iminopenta-1,3-dien-3-amine

(3E)-5-iminopenta-1,3-dien-3-amine (PubChem CID 143613476) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is (3E)-5-iminopenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-5-iminopenta-1,3-dien-3-amine
PubChem CID143613476
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name(3E)-5-iminopenta-1,3-dien-3-amine
SMILES[H]/N=C/C=C(/N)C=C
InChIInChI=1S/C5H8N2/c1-2-5(7)3-4-6/h2-4,6H,1,7H2/b5-3+,6-4+
InChIKeyUWWQASNVTVPHKN-GGWOSOGESA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-iminopenta-1,3-dien-3-amine?
The IUPAC name of (3E)-5-iminopenta-1,3-dien-3-amine (CID 143613476) is (3E)-5-iminopenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-5-iminopenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-5-iminopenta-1,3-dien-3-amine is [H]/N=C/C=C(/N)C=C.
What is the InChIKey of (3E)-5-iminopenta-1,3-dien-3-amine?
The InChIKey is UWWQASNVTVPHKN-GGWOSOGESA-N. The full InChI is InChI=1S/C5H8N2/c1-2-5(7)3-4-6/h2-4,6H,1,7H2/b5-3+,6-4+.
What are the key properties of (3E)-5-iminopenta-1,3-dien-3-amine?
(3E)-5-iminopenta-1,3-dien-3-amine has a molecular weight of 96.13 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-iminopenta-1,3-dien-3-amine is sourced from PubChem (CID 143613476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).