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

C9H14N2 — CID 143020948

IUPAC(3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine
SMILES[H]/N=C/C(/C=C\CC)=C(\N)C=C
InChIInChI=1S/C9H14N2/c1-3-5-6-8(7-10)9(11)4-2/h4-7,10H,2-3,11H2,1H3/b6-5-,9-8-,10-7+
InChIKeyXPMCLLSHILPRQY-ZLIMIXHLSA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds4

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

(3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine (PubChem CID 143020948) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine
PubChem CID143020948
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine
SMILES[H]/N=C/C(/C=C\CC)=C(\N)C=C
InChIInChI=1S/C9H14N2/c1-3-5-6-8(7-10)9(11)4-2/h4-7,10H,2-3,11H2,1H3/b6-5-,9-8-,10-7+
InChIKeyXPMCLLSHILPRQY-ZLIMIXHLSA-N
XLogP2.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine (CID 143020948) is (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine is [H]/N=C/C(/C=C\CC)=C(\N)C=C.
What is the InChIKey of (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine?
The InChIKey is XPMCLLSHILPRQY-ZLIMIXHLSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-6-8(7-10)9(11)4-2/h4-7,10H,2-3,11H2,1H3/b6-5-,9-8-,10-7+.
What are the key properties of (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine?
(3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine has a molecular weight of 150.22 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-methanimidoylocta-1,3,5-trien-3-amine is sourced from PubChem (CID 143020948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).