2-methyl-3-(4-propylanilino)propanenitrile

C13H18N2 — CID 43243989

IUPAC2-methyl-3-(4-propylanilino)propanenitrile
SMILESCCCc1ccc(NCC(C)C#N)cc1
InChIInChI=1S/C13H18N2/c1-3-4-12-5-7-13(8-6-12)15-10-11(2)9-14/h5-8,11,15H,3-4,10H2,1-2H3
InChIKeyANZANWWGVGPNMO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.21
Rot. Bonds5

About 2-methyl-3-(4-propylanilino)propanenitrile

2-methyl-3-(4-propylanilino)propanenitrile (PubChem CID 43243989) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-3-(4-propylanilino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(4-propylanilino)propanenitrile
PubChem CID43243989
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-methyl-3-(4-propylanilino)propanenitrile
SMILESCCCc1ccc(NCC(C)C#N)cc1
InChIInChI=1S/C13H18N2/c1-3-4-12-5-7-13(8-6-12)15-10-11(2)9-14/h5-8,11,15H,3-4,10H2,1-2H3
InChIKeyANZANWWGVGPNMO-UHFFFAOYSA-N
XLogP3.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[(4-propylanilino)methyl]butanenitrile
CID 115254222
1-(4-propylanilino)propan-2-ol
CID 60884974
3-(4-ethoxyanilino)-2-methylpropanenitrile
CID 43245379
4-(4-propylanilino)butanenitrile
CID 43216271
N-[4-(2-cyanopropylamino)phenyl]acetamide
CID 43245372
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
3-(4-chloro-3-fluoroanilino)-2-methylpropanenitrile
CID 61466785
4-butyl-N-(2-methylpentyl)aniline
CID 43108404
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylpropanenitrile
CID 43245373
2-amino-2-(4-propylphenyl)acetonitrile
CID 90203158
2-(4-propylanilino)ethanethiol
CID 115223632
3-(4-bromo-3,5-dimethylanilino)-2-methylpropanenitrile
CID 107573585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propylanilino)propanenitrile?
The IUPAC name of 2-methyl-3-(4-propylanilino)propanenitrile (CID 43243989) is 2-methyl-3-(4-propylanilino)propanenitrile.
What is the SMILES notation for 2-methyl-3-(4-propylanilino)propanenitrile?
The canonical SMILES for 2-methyl-3-(4-propylanilino)propanenitrile is CCCc1ccc(NCC(C)C#N)cc1.
What is the InChIKey of 2-methyl-3-(4-propylanilino)propanenitrile?
The InChIKey is ANZANWWGVGPNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-4-12-5-7-13(8-6-12)15-10-11(2)9-14/h5-8,11,15H,3-4,10H2,1-2H3.
What are the key properties of 2-methyl-3-(4-propylanilino)propanenitrile?
2-methyl-3-(4-propylanilino)propanenitrile has a molecular weight of 202.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propylanilino)propanenitrile is sourced from PubChem (CID 43243989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).