2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile

C14H20N2 — CID 60986969

IUPAC2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile
SMILESCCC(C#N)(Nc1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H20N2/c1-5-14(10-15,11(2)3)16-13-8-6-12(4)7-9-13/h6-9,11,16H,5H2,1-4H3
InChIKeyZYTULMUDNRJXCK-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.74
Rot. Bonds4

About 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile

2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile (PubChem CID 60986969) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile
PubChem CID60986969
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile
SMILESCCC(C#N)(Nc1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H20N2/c1-5-14(10-15,11(2)3)16-13-8-6-12(4)7-9-13/h6-9,11,16H,5H2,1-4H3
InChIKeyZYTULMUDNRJXCK-UHFFFAOYSA-N
XLogP3.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenyl-p-toluidine
CID 12109
4-Acetamidophenylacetonitrile
CID 289748
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
N-(4-cyanophenyl)acetamide
CID 37256
N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide
CID 33296
N-Ethyl-p-toluidine
CID 61164
Benzenamine, 4-methyl-N-(4-methylphenyl)-
CID 69293
4-Aminophenylacetonitrile
CID 77000
2-Anilino-2-methylpropiononitrile
CID 75128
2,2,4-Trimethyl-1,2-dihydroquinoline hydrochloride
CID 6602975
1-Benzyl-4-(p-toluidino)piperidine-4-carbonitrile
CID 70417
2-(4-(Dimethylamino)benzylidene)malononitrile
CID 137736

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile?
The IUPAC name of 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile (CID 60986969) is 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile.
What is the SMILES notation for 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile?
The canonical SMILES for 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile is CCC(C#N)(Nc1ccc(C)cc1)C(C)C.
What is the InChIKey of 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile?
The InChIKey is ZYTULMUDNRJXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-14(10-15,11(2)3)16-13-8-6-12(4)7-9-13/h6-9,11,16H,5H2,1-4H3.
What are the key properties of 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile?
2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-2-(4-methylanilino)butanenitrile is sourced from PubChem (CID 60986969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).