(2Z,4E)-1-iminohepta-2,4-dien-3-amine

C7H12N2 — CID 155149105

IUPAC(2Z,4E)-1-iminohepta-2,4-dien-3-amine
SMILES[H]/N=C/C=C(N)/C=C/CC
InChIInChI=1S/C7H12N2/c1-2-3-4-7(9)5-6-8/h3-6,8H,2,9H2,1H3/b4-3+,7-5-,8-6+
InChIKeyQCPMDOIPRXWGEO-BLEWUHOTSA-N
MW124.19 g/mol
LogP1.44
Rot. Bonds3

About (2Z,4E)-1-iminohepta-2,4-dien-3-amine

(2Z,4E)-1-iminohepta-2,4-dien-3-amine (PubChem CID 155149105) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2Z,4E)-1-iminohepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4E)-1-iminohepta-2,4-dien-3-amine
PubChem CID155149105
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2Z,4E)-1-iminohepta-2,4-dien-3-amine
SMILES[H]/N=C/C=C(N)/C=C/CC
InChIInChI=1S/C7H12N2/c1-2-3-4-7(9)5-6-8/h3-6,8H,2,9H2,1H3/b4-3+,7-5-,8-6+
InChIKeyQCPMDOIPRXWGEO-BLEWUHOTSA-N
XLogP1.44
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.44
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 (2Z,4E)-1-iminohepta-2,4-dien-3-amine?
The IUPAC name of (2Z,4E)-1-iminohepta-2,4-dien-3-amine (CID 155149105) is (2Z,4E)-1-iminohepta-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4E)-1-iminohepta-2,4-dien-3-amine?
The canonical SMILES for (2Z,4E)-1-iminohepta-2,4-dien-3-amine is [H]/N=C/C=C(N)/C=C/CC.
What is the InChIKey of (2Z,4E)-1-iminohepta-2,4-dien-3-amine?
The InChIKey is QCPMDOIPRXWGEO-BLEWUHOTSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-3-4-7(9)5-6-8/h3-6,8H,2,9H2,1H3/b4-3+,7-5-,8-6+.
What are the key properties of (2Z,4E)-1-iminohepta-2,4-dien-3-amine?
(2Z,4E)-1-iminohepta-2,4-dien-3-amine has a molecular weight of 124.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-iminohepta-2,4-dien-3-amine is sourced from PubChem (CID 155149105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).