(3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine

C9H16N4 — CID 130337509

IUPAC(3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine
SMILESC=CN/C(C/N=C/C)=C(\N)C(=C)N
InChIInChI=1S/C9H16N4/c1-4-12-6-8(13-5-2)9(11)7(3)10/h4-5,13H,2-3,6,10-11H2,1H3/b9-8-,12-4+
InChIKeyJJJBHIWIHLUSSL-FIYMPXMFSA-N
MW180.25 g/mol
LogP0.45
Rot. Bonds5

About (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine

(3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine (PubChem CID 130337509) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine.

Molecular Properties

Compound Name(3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine
PubChem CID130337509
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine
SMILESC=CN/C(C/N=C/C)=C(\N)C(=C)N
InChIInChI=1S/C9H16N4/c1-4-12-6-8(13-5-2)9(11)7(3)10/h4-5,13H,2-3,6,10-11H2,1H3/b9-8-,12-4+
InChIKeyJJJBHIWIHLUSSL-FIYMPXMFSA-N
XLogP0.45
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine?
The IUPAC name of (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine (CID 130337509) is (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine.
What is the SMILES notation for (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine?
The canonical SMILES for (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine is C=CN/C(C/N=C/C)=C(\N)C(=C)N.
What is the InChIKey of (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine?
The InChIKey is JJJBHIWIHLUSSL-FIYMPXMFSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-12-6-8(13-5-2)9(11)7(3)10/h4-5,13H,2-3,6,10-11H2,1H3/b9-8-,12-4+.
What are the key properties of (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine?
(3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine has a molecular weight of 180.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-N-ethenyl-5-(ethylideneamino)penta-1,3-diene-2,3,4-triamine is sourced from PubChem (CID 130337509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).