2-(4-methylanilino)-2-propylpentanenitrile

C15H22N2 — CID 54886231

IUPAC2-(4-methylanilino)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)Nc1ccc(C)cc1
InChIInChI=1S/C15H22N2/c1-4-10-15(12-16,11-5-2)17-14-8-6-13(3)7-9-14/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyKXBWYKDQGATIEC-UHFFFAOYSA-N
MW230.36 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-methylanilino)-2-propylpentanenitrile

2-(4-methylanilino)-2-propylpentanenitrile (PubChem CID 54886231) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(4-methylanilino)-2-propylpentanenitrile.

Molecular Properties

Compound Name2-(4-methylanilino)-2-propylpentanenitrile
PubChem CID54886231
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-(4-methylanilino)-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)Nc1ccc(C)cc1
InChIInChI=1S/C15H22N2/c1-4-10-15(12-16,11-5-2)17-14-8-6-13(3)7-9-14/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyKXBWYKDQGATIEC-UHFFFAOYSA-N
XLogP4.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile
CID 60986969
1-(3-cyanopentan-3-yl)-3-(4-methylphenyl)urea
CID 61122433
2-(4-methylanilino)-2-propylpentanamide
CID 54889215
2-(4-methoxyanilino)-2-methylpentanenitrile
CID 60988166
2-(ethylamino)-2-propylpentanenitrile
CID 28899821
2-cyclopropyl-2-(4-methylanilino)propanenitrile
CID 60986860
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848
2-propyl-2-(propylamino)pentanenitrile
CID 28900772
2-(4-chloroanilino)-2-ethyl-4-methylhexanenitrile
CID 54886823
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
2-benzyl-2-(3-methylanilino)butanenitrile
CID 79008566
2-(3-chloroanilino)-2-ethylhexanenitrile
CID 63951845

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-2-propylpentanenitrile?
The IUPAC name of 2-(4-methylanilino)-2-propylpentanenitrile (CID 54886231) is 2-(4-methylanilino)-2-propylpentanenitrile.
What is the SMILES notation for 2-(4-methylanilino)-2-propylpentanenitrile?
The canonical SMILES for 2-(4-methylanilino)-2-propylpentanenitrile is CCCC(C#N)(CCC)Nc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylanilino)-2-propylpentanenitrile?
The InChIKey is KXBWYKDQGATIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-10-15(12-16,11-5-2)17-14-8-6-13(3)7-9-14/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(4-methylanilino)-2-propylpentanenitrile?
2-(4-methylanilino)-2-propylpentanenitrile has a molecular weight of 230.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-2-propylpentanenitrile is sourced from PubChem (CID 54886231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).