2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile

C19H24N4 — CID 88974673

IUPAC2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile
SMILESC=CN(Cc1cc(C(C)(C)C#N)cc(C(C)(C)C#N)c1)/N=C\C
InChIInChI=1S/C19H24N4/c1-7-22-23(8-2)12-15-9-16(18(3,4)13-20)11-17(10-15)19(5,6)14-21/h7-11H,2,12H2,1,3-6H3/b22-7-
InChIKeyVPQLAPNTZGHMFI-HOEBFWFUSA-N
MW308.43 g/mol
LogP4.24
Rot. Bonds6

About 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile

2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile (PubChem CID 88974673) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile
PubChem CID88974673
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile
SMILESC=CN(Cc1cc(C(C)(C)C#N)cc(C(C)(C)C#N)c1)/N=C\C
InChIInChI=1S/C19H24N4/c1-7-22-23(8-2)12-15-9-16(18(3,4)13-20)11-17(10-15)19(5,6)14-21/h7-11H,2,12H2,1,3-6H3/b22-7-
InChIKeyVPQLAPNTZGHMFI-HOEBFWFUSA-N
XLogP4.24
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile 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 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile (CID 88974673) is 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile is C=CN(Cc1cc(C(C)(C)C#N)cc(C(C)(C)C#N)c1)/N=C\C.
What is the InChIKey of 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile?
The InChIKey is VPQLAPNTZGHMFI-HOEBFWFUSA-N. The full InChI is InChI=1S/C19H24N4/c1-7-22-23(8-2)12-15-9-16(18(3,4)13-20)11-17(10-15)19(5,6)14-21/h7-11H,2,12H2,1,3-6H3/b22-7-.
What are the key properties of 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile?
2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile has a molecular weight of 308.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyanopropan-2-yl)-5-[[ethenyl-[(Z)-ethylideneamino]amino]methyl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 88974673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).