(Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile

C19H30N2 — CID 129194238

IUPAC(Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile
SMILESC=C(C#N)/C=C\C(=C/C)C(CCC)N(C)C(=C)C(C)(C)C
InChIInChI=1S/C19H30N2/c1-9-11-18(21(8)16(4)19(5,6)7)17(10-2)13-12-15(3)14-20/h10,12-13,18H,3-4,9,11H2,1-2,5-8H3/b13-12-,17-10-
InChIKeyYDDKQPJKDJAQFY-ZLTRIVSTSA-N
MW286.46 g/mol
LogP5.23
Rot. Bonds7

About (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile

(Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile (PubChem CID 129194238) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile.

Molecular Properties

Compound Name(Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile
PubChem CID129194238
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile
SMILESC=C(C#N)/C=C\C(=C/C)C(CCC)N(C)C(=C)C(C)(C)C
InChIInChI=1S/C19H30N2/c1-9-11-18(21(8)16(4)19(5,6)7)17(10-2)13-12-15(3)14-20/h10,12-13,18H,3-4,9,11H2,1-2,5-8H3/b13-12-,17-10-
InChIKeyYDDKQPJKDJAQFY-ZLTRIVSTSA-N
XLogP5.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile?
The IUPAC name of (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile (CID 129194238) is (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile.
What is the SMILES notation for (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile?
The canonical SMILES for (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile is C=C(C#N)/C=C\C(=C/C)C(CCC)N(C)C(=C)C(C)(C)C.
What is the InChIKey of (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile?
The InChIKey is YDDKQPJKDJAQFY-ZLTRIVSTSA-N. The full InChI is InChI=1S/C19H30N2/c1-9-11-18(21(8)16(4)19(5,6)7)17(10-2)13-12-15(3)14-20/h10,12-13,18H,3-4,9,11H2,1-2,5-8H3/b13-12-,17-10-.
What are the key properties of (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile?
(Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile has a molecular weight of 286.46 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-6-[3,3-dimethylbut-1-en-2-yl(methyl)amino]-5-ethylidene-2-methylidenenon-3-enenitrile is sourced from PubChem (CID 129194238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).