(E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine

C12H18N2 — CID 90817774

IUPAC(E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine
SMILESC=C(C)/C=C\C(=C)/C(C)=N/N=C/CC
InChIInChI=1S/C12H18N2/c1-6-9-13-14-12(5)11(4)8-7-10(2)3/h7-9H,2,4,6H2,1,3,5H3/b8-7-,13-9+,14-12-
InChIKeyUEFIESOTYAAUGO-ZMOYFTJTSA-N
MW190.29 g/mol
LogP3.53
Rot. Bonds5

About (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine

(E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine (PubChem CID 90817774) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine
PubChem CID90817774
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine
SMILESC=C(C)/C=C\C(=C)/C(C)=N/N=C/CC
InChIInChI=1S/C12H18N2/c1-6-9-13-14-12(5)11(4)8-7-10(2)3/h7-9H,2,4,6H2,1,3,5H3/b8-7-,13-9+,14-12-
InChIKeyUEFIESOTYAAUGO-ZMOYFTJTSA-N
XLogP3.53
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine?
The IUPAC name of (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine (CID 90817774) is (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine.
What is the SMILES notation for (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine?
The canonical SMILES for (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine is C=C(C)/C=C\C(=C)/C(C)=N/N=C/CC.
What is the InChIKey of (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine?
The InChIKey is UEFIESOTYAAUGO-ZMOYFTJTSA-N. The full InChI is InChI=1S/C12H18N2/c1-6-9-13-14-12(5)11(4)8-7-10(2)3/h7-9H,2,4,6H2,1,3,5H3/b8-7-,13-9+,14-12-.
What are the key properties of (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine?
(E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine has a molecular weight of 190.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-6-methyl-3-methylidene-N-[(E)-propylideneamino]hepta-4,6-dien-2-imine is sourced from PubChem (CID 90817774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).