2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile

C13H19N3 — CID 62641602

IUPAC2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile
SMILESCCN(C)CCNc1cc(C)ccc1C#N
InChIInChI=1S/C13H19N3/c1-4-16(3)8-7-15-13-9-11(2)5-6-12(13)10-14/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyZUNDZWWUGXDWON-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.23
Rot. Bonds5

About 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile

2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile (PubChem CID 62641602) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile
PubChem CID62641602
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile
SMILESCCN(C)CCNc1cc(C)ccc1C#N
InChIInChI=1S/C13H19N3/c1-4-16(3)8-7-15-13-9-11(2)5-6-12(13)10-14/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyZUNDZWWUGXDWON-UHFFFAOYSA-N
XLogP2.23
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-2-[2-[ethyl(methyl)amino]ethylamino]benzonitrile
CID 133442887
2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylbenzonitrile
CID 114127687
2-(2-cyano-5-methylanilino)-N,N-dimethylethanesulfonamide
CID 106338578
2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
CID 103461763
4-methyl-2-(prop-2-ynylamino)benzonitrile
CID 62307299
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
CID 62313204
4-[2-[ethyl(methyl)amino]ethylamino]-2-(trifluoromethyl)benzonitrile
CID 62641514
2-[3-(diethylamino)propylamino]-5-methylbenzonitrile
CID 107926933
2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
CID 62499274
2-(2-aminobutylamino)-4-methylbenzonitrile
CID 63731405
4-methyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzonitrile
CID 80682648
2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methylbenzonitrile
CID 83110072

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile (CID 62641602) is 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile is CCN(C)CCNc1cc(C)ccc1C#N.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile?
The InChIKey is ZUNDZWWUGXDWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-16(3)8-7-15-13-9-11(2)5-6-12(13)10-14/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile?
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile is sourced from PubChem (CID 62641602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).