(2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine

C17H24N2 — CID 129215298

IUPAC(2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine
SMILESC=CC(=N\C=C\C(C)=C/C=C(C)C)/C(/C=N/C)=C/C
InChIInChI=1S/C17H24N2/c1-7-16(13-18-6)17(8-2)19-12-11-15(5)10-9-14(3)4/h7-13H,2H2,1,3-6H3/b12-11+,15-10-,16-7+,18-13+,19-17+
InChIKeyYDMWMNMBLOZCGS-ASWFZBLZSA-N
MW256.39 g/mol
LogP4.69
Rot. Bonds6

About (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine

(2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine (PubChem CID 129215298) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine.

Molecular Properties

Compound Name(2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine
PubChem CID129215298
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine
SMILESC=CC(=N\C=C\C(C)=C/C=C(C)C)/C(/C=N/C)=C/C
InChIInChI=1S/C17H24N2/c1-7-16(13-18-6)17(8-2)19-12-11-15(5)10-9-14(3)4/h7-13H,2H2,1,3-6H3/b12-11+,15-10-,16-7+,18-13+,19-17+
InChIKeyYDMWMNMBLOZCGS-ASWFZBLZSA-N
XLogP4.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
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 (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine?
The IUPAC name of (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine (CID 129215298) is (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine.
What is the SMILES notation for (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine?
The canonical SMILES for (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine is C=CC(=N\C=C\C(C)=C/C=C(C)C)/C(/C=N/C)=C/C.
What is the InChIKey of (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine?
The InChIKey is YDMWMNMBLOZCGS-ASWFZBLZSA-N. The full InChI is InChI=1S/C17H24N2/c1-7-16(13-18-6)17(8-2)19-12-11-15(5)10-9-14(3)4/h7-13H,2H2,1,3-6H3/b12-11+,15-10-,16-7+,18-13+,19-17+.
What are the key properties of (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine?
(2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine has a molecular weight of 256.39 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-N-[(1E,3Z)-3,6-dimethylhepta-1,3,5-trienyl]-2-ethylidene-1-N-methylpent-4-ene-1,3-diimine is sourced from PubChem (CID 129215298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).