(2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine

C9H14N2 — CID 134289245

IUPAC(2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine
SMILES[H]N=C(/C=C(\C)N)/C(C=C)=C/C
InChIInChI=1S/C9H14N2/c1-4-8(5-2)9(11)6-7(3)10/h4-6,11H,1,10H2,2-3H3/b7-6+,8-5+,11-9+
InChIKeyYHNZYSSUGMAIAY-OAWWTKDRSA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds3

About (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine

(2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine (PubChem CID 134289245) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine.

Molecular Properties

Compound Name(2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine
PubChem CID134289245
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine
SMILES[H]N=C(/C=C(\C)N)/C(C=C)=C/C
InChIInChI=1S/C9H14N2/c1-4-8(5-2)9(11)6-7(3)10/h4-6,11H,1,10H2,2-3H3/b7-6+,8-5+,11-9+
InChIKeyYHNZYSSUGMAIAY-OAWWTKDRSA-N
XLogP2.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.00
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 (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine?
The IUPAC name of (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine (CID 134289245) is (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine.
What is the SMILES notation for (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine?
The canonical SMILES for (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine is [H]N=C(/C=C(\C)N)/C(C=C)=C/C.
What is the InChIKey of (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine?
The InChIKey is YHNZYSSUGMAIAY-OAWWTKDRSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8(5-2)9(11)6-7(3)10/h4-6,11H,1,10H2,2-3H3/b7-6+,8-5+,11-9+.
What are the key properties of (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine?
(2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine has a molecular weight of 150.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-ethenyl-4-iminohepta-2,5-dien-2-amine is sourced from PubChem (CID 134289245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).