2-(N,3,5-trimethylanilino)acetonitrile

C11H14N2 — CID 61036155

IUPAC2-(N,3,5-trimethylanilino)acetonitrile
SMILESCc1cc(C)cc(N(C)CC#N)c1
InChIInChI=1S/C11H14N2/c1-9-6-10(2)8-11(7-9)13(3)5-4-12/h6-8H,5H2,1-3H3
InChIKeyJWUKMPROUNZEGX-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.26
Rot. Bonds2

About 2-(N,3,5-trimethylanilino)acetonitrile

2-(N,3,5-trimethylanilino)acetonitrile (PubChem CID 61036155) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(N,3,5-trimethylanilino)acetonitrile.

Molecular Properties

Compound Name2-(N,3,5-trimethylanilino)acetonitrile
PubChem CID61036155
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(N,3,5-trimethylanilino)acetonitrile
SMILESCc1cc(C)cc(N(C)CC#N)c1
InChIInChI=1S/C11H14N2/c1-9-6-10(2)8-11(7-9)13(3)5-4-12/h6-8H,5H2,1-3H3
InChIKeyJWUKMPROUNZEGX-UHFFFAOYSA-N
XLogP2.26
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-N,4-dimethylanilino)acetonitrile
CID 82112115
cyano-(3,5-dimethylphenyl)cyanamide
CID 21443857
2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetonitrile
CID 117044726
2-(N-methyl-4-phenylanilino)acetonitrile
CID 115130840
2-[3-(hydroxymethyl)-N-methylanilino]acetonitrile
CID 130605488
N-[2-(chloromethyl)prop-2-enyl]-N,3,5-trimethylaniline
CID 103067794
2-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]acetonitrile
CID 115130898
3-fluoro-4-[(N,3,5-trimethylanilino)methyl]benzonitrile
CID 61036267
4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
CID 63884612
N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide
CID 52689443
N-[(1-aminocyclopentyl)methyl]-N,3,5-trimethylaniline
CID 62002100
2-(N-methyl-4-methylsulfonylanilino)acetonitrile
CID 115130886

Frequently Asked Questions

What is the IUPAC name of 2-(N,3,5-trimethylanilino)acetonitrile?
The IUPAC name of 2-(N,3,5-trimethylanilino)acetonitrile (CID 61036155) is 2-(N,3,5-trimethylanilino)acetonitrile.
What is the SMILES notation for 2-(N,3,5-trimethylanilino)acetonitrile?
The canonical SMILES for 2-(N,3,5-trimethylanilino)acetonitrile is Cc1cc(C)cc(N(C)CC#N)c1.
What is the InChIKey of 2-(N,3,5-trimethylanilino)acetonitrile?
The InChIKey is JWUKMPROUNZEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-6-10(2)8-11(7-9)13(3)5-4-12/h6-8H,5H2,1-3H3.
What are the key properties of 2-(N,3,5-trimethylanilino)acetonitrile?
2-(N,3,5-trimethylanilino)acetonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3,5-trimethylanilino)acetonitrile is sourced from PubChem (CID 61036155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).