(4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine

C10H14N2 — CID 143931498

IUPAC(4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine
SMILES[H]/N=C(\C=C)C(C=C)=C/N=C/CC
InChIInChI=1S/C10H14N2/c1-4-7-12-8-9(5-2)10(11)6-3/h5-8,11H,2-4H2,1H3/b9-8-,11-10+,12-7+
InChIKeyNWCCGAXCXPHJMW-WEPCECPMSA-N
MW162.24 g/mol
LogP2.74
Rot. Bonds5

About (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine

(4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine (PubChem CID 143931498) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine.

Molecular Properties

Compound Name(4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine
PubChem CID143931498
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine
SMILES[H]/N=C(\C=C)C(C=C)=C/N=C/CC
InChIInChI=1S/C10H14N2/c1-4-7-12-8-9(5-2)10(11)6-3/h5-8,11H,2-4H2,1H3/b9-8-,11-10+,12-7+
InChIKeyNWCCGAXCXPHJMW-WEPCECPMSA-N
XLogP2.74
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
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 (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine?
The IUPAC name of (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine (CID 143931498) is (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine.
What is the SMILES notation for (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine?
The canonical SMILES for (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine is [H]/N=C(\C=C)C(C=C)=C/N=C/CC.
What is the InChIKey of (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine?
The InChIKey is NWCCGAXCXPHJMW-WEPCECPMSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-7-12-8-9(5-2)10(11)6-3/h5-8,11H,2-4H2,1H3/b9-8-,11-10+,12-7+.
What are the key properties of (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine?
(4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine has a molecular weight of 162.24 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(propylideneamino)methylidene]hexa-1,5-dien-3-imine is sourced from PubChem (CID 143931498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).