(4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine

C12H19N — CID 135270020

IUPAC(4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine
SMILESC/C=C\C=C/C(=C\C)/C(CC)=N/C
InChIInChI=1S/C12H19N/c1-5-8-9-10-11(6-2)12(7-3)13-4/h5-6,8-10H,7H2,1-4H3/b8-5-,10-9-,11-6+,13-12+
InChIKeyKCZAJWMJFFUEGK-GCPUVVTBSA-N
MW177.29 g/mol
LogP3.55
Rot. Bonds4

About (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine

(4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine (PubChem CID 135270020) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine.

Molecular Properties

Compound Name(4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine
PubChem CID135270020
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine
SMILESC/C=C\C=C/C(=C\C)/C(CC)=N/C
InChIInChI=1S/C12H19N/c1-5-8-9-10-11(6-2)12(7-3)13-4/h5-6,8-10H,7H2,1-4H3/b8-5-,10-9-,11-6+,13-12+
InChIKeyKCZAJWMJFFUEGK-GCPUVVTBSA-N
XLogP3.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine?
The IUPAC name of (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine (CID 135270020) is (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine.
What is the SMILES notation for (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine?
The canonical SMILES for (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine is C/C=C\C=C/C(=C\C)/C(CC)=N/C.
What is the InChIKey of (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine?
The InChIKey is KCZAJWMJFFUEGK-GCPUVVTBSA-N. The full InChI is InChI=1S/C12H19N/c1-5-8-9-10-11(6-2)12(7-3)13-4/h5-6,8-10H,7H2,1-4H3/b8-5-,10-9-,11-6+,13-12+.
What are the key properties of (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine?
(4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine has a molecular weight of 177.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z,7Z)-4-ethylidene-N-methylnona-5,7-dien-3-imine is sourced from PubChem (CID 135270020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).