2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile

C11H15N3 — CID 62686462

IUPAC2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
SMILESCN(CCN)Cc1ccccc1C#N
InChIInChI=1S/C11H15N3/c1-14(7-6-12)9-11-5-3-2-4-10(11)8-13/h2-5H,6-7,9,12H2,1H3
InChIKeyNUXYUVWEIRZSCL-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.95
Rot. Bonds4

About 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile

2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile (PubChem CID 62686462) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
PubChem CID62686462
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile
SMILESCN(CCN)Cc1ccccc1C#N
InChIInChI=1S/C11H15N3/c1-14(7-6-12)9-11-5-3-2-4-10(11)8-13/h2-5H,6-7,9,12H2,1H3
InChIKeyNUXYUVWEIRZSCL-UHFFFAOYSA-N
XLogP0.95
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-hydroxybutyl(methyl)amino]methyl]benzonitrile
CID 71988951
2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 43216435
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
CID 62682395
2-(2-aminoethyl)benzonitrile;hydrochloride
CID 50999321
3-[(3-cyano-2-fluorophenyl)methyl-methylamino]propanoic acid
CID 107118782
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 27099090
4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114484816
4-[[2-aminoethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62685924

Frequently Asked Questions

What is the IUPAC name of 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile?
The IUPAC name of 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile (CID 62686462) is 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile is CN(CCN)Cc1ccccc1C#N.
What is the InChIKey of 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile?
The InChIKey is NUXYUVWEIRZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-14(7-6-12)9-11-5-3-2-4-10(11)8-13/h2-5H,6-7,9,12H2,1H3.
What are the key properties of 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile?
2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile has a molecular weight of 189.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-aminoethyl(methyl)amino]methyl]benzonitrile is sourced from PubChem (CID 62686462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).