(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine

C7H10N2 — CID 142468581

IUPAC(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
SMILES[H]/N=C/C(C=C)=C(\N)C=C
InChIInChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8H,1-2,9H2/b7-6-,8-5+
InChIKeyJXVIKQDTBAKFQX-WNXMRAAYSA-N
MW122.17 g/mol
LogP1.22
Rot. Bonds3

About (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine

(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine (PubChem CID 142468581) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
PubChem CID142468581
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine
SMILES[H]/N=C/C(C=C)=C(\N)C=C
InChIInChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8H,1-2,9H2/b7-6-,8-5+
InChIKeyJXVIKQDTBAKFQX-WNXMRAAYSA-N
XLogP1.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.22
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 (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine (CID 142468581) is (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine is [H]/N=C/C(C=C)=C(\N)C=C.
What is the InChIKey of (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
The InChIKey is JXVIKQDTBAKFQX-WNXMRAAYSA-N. The full InChI is InChI=1S/C7H10N2/c1-3-6(5-8)7(9)4-2/h3-5,8H,1-2,9H2/b7-6-,8-5+.
What are the key properties of (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine?
(3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine has a molecular weight of 122.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methanimidoylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 142468581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).