2-[(N-phenylanilino)methyl]pentanenitrile

C18H20N2 — CID 10923420

IUPAC2-[(N-phenylanilino)methyl]pentanenitrile
SMILESCCCC(C#N)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-2-9-16(14-19)15-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16H,2,9,15H2,1H3
InChIKeyIPEJPWDXTMVVHI-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.76
Rot. Bonds6

About 2-[(N-phenylanilino)methyl]pentanenitrile

2-[(N-phenylanilino)methyl]pentanenitrile (PubChem CID 10923420) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(N-phenylanilino)methyl]pentanenitrile.

Molecular Properties

Compound Name2-[(N-phenylanilino)methyl]pentanenitrile
PubChem CID10923420
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[(N-phenylanilino)methyl]pentanenitrile
SMILESCCCC(C#N)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-2-9-16(14-19)15-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16H,2,9,15H2,1H3
InChIKeyIPEJPWDXTMVVHI-UHFFFAOYSA-N
XLogP4.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxyphenyl)methyl]pentanenitrile
CID 19858494
2-cyanopentyl benzoate
CID 123568699
N-(2,2-difluoroethyl)-N-phenylaniline
CID 10399080
ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline
CID 144663906
2-(1-diphenylphosphorylbutyl)propanedinitrile
CID 71423566
1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine
CID 62044666
2-(N-ethylanilino)butanenitrile
CID 21413076
5-phenylmethoxyimino-2-propylhexanenitrile
CID 140887382
2-propyl-5-triphenylsilyloxyiminohexanenitrile
CID 140887488
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
2-phenacylhexanenitrile
CID 162717827
2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
CID 64538362

Frequently Asked Questions

What is the IUPAC name of 2-[(N-phenylanilino)methyl]pentanenitrile?
The IUPAC name of 2-[(N-phenylanilino)methyl]pentanenitrile (CID 10923420) is 2-[(N-phenylanilino)methyl]pentanenitrile.
What is the SMILES notation for 2-[(N-phenylanilino)methyl]pentanenitrile?
The canonical SMILES for 2-[(N-phenylanilino)methyl]pentanenitrile is CCCC(C#N)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(N-phenylanilino)methyl]pentanenitrile?
The InChIKey is IPEJPWDXTMVVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-9-16(14-19)15-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16H,2,9,15H2,1H3.
What are the key properties of 2-[(N-phenylanilino)methyl]pentanenitrile?
2-[(N-phenylanilino)methyl]pentanenitrile has a molecular weight of 264.37 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-phenylanilino)methyl]pentanenitrile is sourced from PubChem (CID 10923420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).