2-[2-(dimethylamino)ethyl-methylamino]benzonitrile

C12H17N3 — CID 55247342

IUPAC2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
SMILESCN(C)CCN(C)c1ccccc1C#N
InChIInChI=1S/C12H17N3/c1-14(2)8-9-15(3)12-7-5-4-6-11(12)10-13/h4-7H,8-9H2,1-3H3
InChIKeyMPWAYDVSJIFPHB-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.56
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile

2-[2-(dimethylamino)ethyl-methylamino]benzonitrile (PubChem CID 55247342) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
PubChem CID55247342
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
SMILESCN(C)CCN(C)c1ccccc1C#N
InChIInChI=1S/C12H17N3/c1-14(2)8-9-15(3)12-7-5-4-6-11(12)10-13/h4-7H,8-9H2,1-3H3
InChIKeyMPWAYDVSJIFPHB-UHFFFAOYSA-N
XLogP1.56
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-bromononyl(methyl)amino]benzonitrile
CID 105343840
5-chloro-2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 63693164
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
2-[2-cyclohexylethyl(methyl)amino]benzonitrile
CID 114191196
2-[2-cyanopropyl(methyl)amino]benzonitrile
CID 60966613
3-[2-cyano-N-[2-(dimethylamino)ethyl]anilino]propanoic acid
CID 82319824
2-[2-(4-bromophenoxy)ethyl-methylamino]benzonitrile
CID 78913371
N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine
CID 63699905
2-[methyl(pyridin-4-ylmethyl)amino]benzonitrile
CID 43420438
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]benzonitrile
CID 105417896
2-[3-(dimethylamino)propyl]benzonitrile
CID 10702796
2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile (CID 55247342) is 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile is CN(C)CCN(C)c1ccccc1C#N.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile?
The InChIKey is MPWAYDVSJIFPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-14(2)8-9-15(3)12-7-5-4-6-11(12)10-13/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile?
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile has a molecular weight of 203.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]benzonitrile is sourced from PubChem (CID 55247342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).