2-methyl-2-(3-methylanilino)propanenitrile

C11H14N2 — CID 60719838

IUPAC2-methyl-2-(3-methylanilino)propanenitrile
SMILESCc1cccc(NC(C)(C)C#N)c1
InChIInChI=1S/C11H14N2/c1-9-5-4-6-10(7-9)13-11(2,3)8-12/h4-7,13H,1-3H3
InChIKeyLAVFAEDBIMIUNI-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-2-(3-methylanilino)propanenitrile

2-methyl-2-(3-methylanilino)propanenitrile (PubChem CID 60719838) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-methyl-2-(3-methylanilino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(3-methylanilino)propanenitrile
PubChem CID60719838
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-methyl-2-(3-methylanilino)propanenitrile
SMILESCc1cccc(NC(C)(C)C#N)c1
InChIInChI=1S/C11H14N2/c1-9-5-4-6-10(7-9)13-11(2,3)8-12/h4-7,13H,1-3H3
InChIKeyLAVFAEDBIMIUNI-UHFFFAOYSA-N
XLogP2.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylanilino)-2-methylpropanenitrile
CID 82131814
1-(3-methylanilino)ethane-1,1-diol
CID 54318921
2-(5-bromo-2-fluorophenyl)-2-(3-methylanilino)propanenitrile
CID 82964693
2-benzyl-2-(3-methylanilino)butanenitrile
CID 79008566
N-ethenyl-3-methylaniline
CID 69480469
3-methyl-N-propa-1,2-dienylaniline
CID 176533877
4,4-dimethyl-5-(3-methylanilino)pentanenitrile
CID 115671109
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
ethane;3-methyl-N-tritylaniline
CID 143156765
N-(ethylselanylmethyl)-3-methylaniline
CID 10633082
1-cyano-N-(3-methylphenyl)methanethioamide
CID 4569195
bis(acetonitrile);azane;1,3-xylene
CID 70638628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylanilino)propanenitrile?
The IUPAC name of 2-methyl-2-(3-methylanilino)propanenitrile (CID 60719838) is 2-methyl-2-(3-methylanilino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(3-methylanilino)propanenitrile?
The canonical SMILES for 2-methyl-2-(3-methylanilino)propanenitrile is Cc1cccc(NC(C)(C)C#N)c1.
What is the InChIKey of 2-methyl-2-(3-methylanilino)propanenitrile?
The InChIKey is LAVFAEDBIMIUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-5-4-6-10(7-9)13-11(2,3)8-12/h4-7,13H,1-3H3.
What are the key properties of 2-methyl-2-(3-methylanilino)propanenitrile?
2-methyl-2-(3-methylanilino)propanenitrile has a molecular weight of 174.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylanilino)propanenitrile is sourced from PubChem (CID 60719838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).