(3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile

C19H26N2 — CID 126491160

IUPAC(3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile
SMILESC=C(C#N)/C(C)=C\C=C(C)\C(/C=C(\C)C/C=C\CC)=N\C
InChIInChI=1S/C19H26N2/c1-7-8-9-10-15(2)13-19(21-6)17(4)12-11-16(3)18(5)14-20/h8-9,11-13H,5,7,10H2,1-4,6H3/b9-8-,15-13+,16-11-,17-12+,21-19+
InChIKeyXVTNVWOQFCMOAC-WVQJLIGZSA-N
MW282.43 g/mol
LogP5.33
Rot. Bonds7

About (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile

(3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile (PubChem CID 126491160) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile.

Molecular Properties

Compound Name(3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile
PubChem CID126491160
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile
SMILESC=C(C#N)/C(C)=C\C=C(C)\C(/C=C(\C)C/C=C\CC)=N\C
InChIInChI=1S/C19H26N2/c1-7-8-9-10-15(2)13-19(21-6)17(4)12-11-16(3)18(5)14-20/h8-9,11-13H,5,7,10H2,1-4,6H3/b9-8-,15-13+,16-11-,17-12+,21-19+
InChIKeyXVTNVWOQFCMOAC-WVQJLIGZSA-N
XLogP5.33
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile?
The IUPAC name of (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile (CID 126491160) is (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile.
What is the SMILES notation for (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile?
The canonical SMILES for (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile is C=C(C#N)/C(C)=C\C=C(C)\C(/C=C(\C)C/C=C\CC)=N\C.
What is the InChIKey of (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile?
The InChIKey is XVTNVWOQFCMOAC-WVQJLIGZSA-N. The full InChI is InChI=1S/C19H26N2/c1-7-8-9-10-15(2)13-19(21-6)17(4)12-11-16(3)18(5)14-20/h8-9,11-13H,5,7,10H2,1-4,6H3/b9-8-,15-13+,16-11-,17-12+,21-19+.
What are the key properties of (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile?
(3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile has a molecular weight of 282.43 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile is sourced from PubChem (CID 126491160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).