(2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile

C25H44N2 — CID 143726058

IUPAC(2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile
SMILESCCCCC(CC)CN(CC(CC)CCCC)C1=C/C(=C(/C)C#N)CCC1
InChIInChI=1S/C25H44N2/c1-6-10-13-22(8-3)19-27(20-23(9-4)14-11-7-2)25-16-12-15-24(17-25)21(5)18-26/h17,22-23H,6-16,19-20H2,1-5H3/b24-21-
InChIKeyWOVZCISYAVKFGN-FLFQWRMESA-N
MW372.64 g/mol
LogP7.63
Rot. Bonds13

About (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile

(2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile (PubChem CID 143726058) has the molecular formula C25H44N2 and a molecular weight of 372.64 g/mol. Its IUPAC name is (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile.

Molecular Properties

Compound Name(2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile
PubChem CID143726058
Molecular FormulaC25H44N2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC Name(2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile
SMILESCCCCC(CC)CN(CC(CC)CCCC)C1=C/C(=C(/C)C#N)CCC1
InChIInChI=1S/C25H44N2/c1-6-10-13-22(8-3)19-27(20-23(9-4)14-11-7-2)25-16-12-15-24(17-25)21(5)18-26/h17,22-23H,6-16,19-20H2,1-5H3/b24-21-
InChIKeyWOVZCISYAVKFGN-FLFQWRMESA-N
XLogP7.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(7-piperidin-1-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene)propanedinitrile
CID 3517787
2-[7-(azepan-1-yl)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
CID 3614365
2-[7-[butyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
CID 4076033
2-[7-(diethylamino)-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
CID 5199378
2-(7-pyrrolidin-1-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene)propanedinitrile
CID 4073372
2-[7-[cyclohexyl(methyl)amino]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]propanedinitrile
CID 16238693
2-{4-[3,5-Dimethyl-1-(2-propyl-heptyl)-1h-pyridin-4-ylidene]-3,5-dimethyl-cyclohexa-2,5-dienylidene}-malononitrile
CID 87228603
2-{3-[2-(Dibutylamino)-1-ethenyl]-5,5-dimethyl-2-cyclohexenylidene} malononitrile
CID 129826367
(2Z)-2-[3-[bis(2-fluoroethyl)amino]-5,5-dimethylcyclohex-2-en-1-ylidene]propanenitrile
CID 117878801
2-(1-Dodecyl-2,6-dimethyl-4-pyridinylidene)propanedinitrile
CID 16737491
[5,5-Dimethyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile
CID 21516726
2-{3-[(e)-2-(Dibutylamino)-1-ethenyl]-5,5-dimethyl-2-cyclohexenyliden} malononitrile
CID 90123258

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile?
The IUPAC name of (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile (CID 143726058) is (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile.
What is the SMILES notation for (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile?
The canonical SMILES for (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile is CCCCC(CC)CN(CC(CC)CCCC)C1=C/C(=C(/C)C#N)CCC1.
What is the InChIKey of (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile?
The InChIKey is WOVZCISYAVKFGN-FLFQWRMESA-N. The full InChI is InChI=1S/C25H44N2/c1-6-10-13-22(8-3)19-27(20-23(9-4)14-11-7-2)25-16-12-15-24(17-25)21(5)18-26/h17,22-23H,6-16,19-20H2,1-5H3/b24-21-.
What are the key properties of (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile?
(2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile has a molecular weight of 372.64 g/mol, XLogP of 7.63, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile is sourced from PubChem (CID 143726058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).