2,3-dimethyl-2-(2-methylanilino)pentanenitrile

C14H20N2 — CID 60990449

IUPAC2,3-dimethyl-2-(2-methylanilino)pentanenitrile
SMILESCCC(C)C(C)(C#N)Nc1ccccc1C
InChIInChI=1S/C14H20N2/c1-5-12(3)14(4,10-15)16-13-9-7-6-8-11(13)2/h6-9,12,16H,5H2,1-4H3
InChIKeyVXZWJIKWBPNASG-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.74
Rot. Bonds4

About 2,3-dimethyl-2-(2-methylanilino)pentanenitrile

2,3-dimethyl-2-(2-methylanilino)pentanenitrile (PubChem CID 60990449) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,3-dimethyl-2-(2-methylanilino)pentanenitrile.

Molecular Properties

Compound Name2,3-dimethyl-2-(2-methylanilino)pentanenitrile
PubChem CID60990449
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,3-dimethyl-2-(2-methylanilino)pentanenitrile
SMILESCCC(C)C(C)(C#N)Nc1ccccc1C
InChIInChI=1S/C14H20N2/c1-5-12(3)14(4,10-15)16-13-9-7-6-8-11(13)2/h6-9,12,16H,5H2,1-4H3
InChIKeyVXZWJIKWBPNASG-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

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CID 8981
2,N-Dimethylaniline
CID 69137
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
Benzenamine, N-ethyl-2-methyl-
CID 7201
2-(Benzylamino)benzonitrile
CID 324787
2-Anilino-2-methylpropiononitrile
CID 75128
2,2,4-Trimethyl-1,2-dihydroquinoline hydrochloride
CID 6602975
3-[(2,5-Dimethylphenyl)amino]propanenitrile
CID 2416544
1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile
CID 70415
N-Allyl-ortho-toluidine
CID 250708
N-(2-cyanophenyl)acetamide
CID 251992
3-(O-Toluidino)propionitrile
CID 256834

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(2-methylanilino)pentanenitrile?
The IUPAC name of 2,3-dimethyl-2-(2-methylanilino)pentanenitrile (CID 60990449) is 2,3-dimethyl-2-(2-methylanilino)pentanenitrile.
What is the SMILES notation for 2,3-dimethyl-2-(2-methylanilino)pentanenitrile?
The canonical SMILES for 2,3-dimethyl-2-(2-methylanilino)pentanenitrile is CCC(C)C(C)(C#N)Nc1ccccc1C.
What is the InChIKey of 2,3-dimethyl-2-(2-methylanilino)pentanenitrile?
The InChIKey is VXZWJIKWBPNASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-12(3)14(4,10-15)16-13-9-7-6-8-11(13)2/h6-9,12,16H,5H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-(2-methylanilino)pentanenitrile?
2,3-dimethyl-2-(2-methylanilino)pentanenitrile 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 2,3-dimethyl-2-(2-methylanilino)pentanenitrile is sourced from PubChem (CID 60990449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).