(2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine

C8H13N3 — CID 135254595

IUPAC(2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine
SMILES[H]/N=C/C(=C\C)C(/C=C(\C)N)=N/[H]
InChIInChI=1S/C8H13N3/c1-3-7(5-9)8(11)4-6(2)10/h3-5,9,11H,10H2,1-2H3/b6-4+,7-3+,9-5+,11-8+
InChIKeyOARSHGMOIUBDMM-UPZQRRLHSA-N
MW151.21 g/mol
LogP1.46
Rot. Bonds3

About (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine

(2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine (PubChem CID 135254595) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine.

Molecular Properties

Compound Name(2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine
PubChem CID135254595
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine
SMILES[H]/N=C/C(=C\C)C(/C=C(\C)N)=N/[H]
InChIInChI=1S/C8H13N3/c1-3-7(5-9)8(11)4-6(2)10/h3-5,9,11H,10H2,1-2H3/b6-4+,7-3+,9-5+,11-8+
InChIKeyOARSHGMOIUBDMM-UPZQRRLHSA-N
XLogP1.46
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine?
The IUPAC name of (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine (CID 135254595) is (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine.
What is the SMILES notation for (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine?
The canonical SMILES for (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine is [H]/N=C/C(=C\C)C(/C=C(\C)N)=N/[H].
What is the InChIKey of (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine?
The InChIKey is OARSHGMOIUBDMM-UPZQRRLHSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-7(5-9)8(11)4-6(2)10/h3-5,9,11H,10H2,1-2H3/b6-4+,7-3+,9-5+,11-8+.
What are the key properties of (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine?
(2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine has a molecular weight of 151.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-imino-5-methanimidoylhepta-2,5-dien-2-amine is sourced from PubChem (CID 135254595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).