ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile

C15H23N — CID 143997025

IUPACethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile
SMILESCC.CC(C)c1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C13H17N.C2H6/c1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-2/h5-8,10H,1-4H3;1-2H3
InChIKeyVKPDWVQLROBBGY-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.64
Rot. Bonds2

About ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile

ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile (PubChem CID 143997025) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile.

Molecular Properties

Compound Nameethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile
PubChem CID143997025
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile
SMILESCC.CC(C)c1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C13H17N.C2H6/c1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-2/h5-8,10H,1-4H3;1-2H3
InChIKeyVKPDWVQLROBBGY-UHFFFAOYSA-N
XLogP4.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2-methyl-2-(4-propan-2-ylphenyl)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-[4-[(1R)-1-aminoethyl]phenyl]-2-methylpropanenitrile
CID 58298494
2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 55026495
4-hydroxy-2-methyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 117050042
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
2-[4-[(1R)-4-chloro-1-hydroxybutyl]phenyl]-2-methylpropanenitrile
CID 54073223
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
2-[3-[1-[3,5-bis(2-cyanopropan-2-yl)phenyl]ethyl]-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
CID 175009338
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]-2-methylpropanenitrile
CID 102868301
2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 122163896
2-[4-(4-fluorophenyl)phenyl]-2-methylpropanenitrile
CID 82084297
N-[1-[4-(2-cyanopropan-2-yl)phenyl]ethyl]butane-1-sulfinamide
CID 90812349
2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61048191

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile?
The IUPAC name of ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile (CID 143997025) is ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile.
What is the SMILES notation for ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile?
The canonical SMILES for ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile is CC.CC(C)c1ccc(C(C)(C)C#N)cc1.
What is the InChIKey of ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile?
The InChIKey is VKPDWVQLROBBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C2H6/c1-10(2)11-5-7-12(8-6-11)13(3,4)9-14;1-2/h5-8,10H,1-4H3;1-2H3.
What are the key properties of ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile?
ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile has a molecular weight of 217.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-(4-propan-2-ylphenyl)propanenitrile is sourced from PubChem (CID 143997025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).