3-(2-amino-N-ethyl-6-methylanilino)propanenitrile

C12H17N3 — CID 115550305

IUPAC3-(2-amino-N-ethyl-6-methylanilino)propanenitrile
SMILESCCN(CCC#N)c1c(C)cccc1N
InChIInChI=1S/C12H17N3/c1-3-15(9-5-8-13)12-10(2)6-4-7-11(12)14/h4,6-7H,3,5,9,14H2,1-2H3
InChIKeyFFTCFTSRSSXUPE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.32
Rot. Bonds4

About 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile

3-(2-amino-N-ethyl-6-methylanilino)propanenitrile (PubChem CID 115550305) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile.

Molecular Properties

Compound Name3-(2-amino-N-ethyl-6-methylanilino)propanenitrile
PubChem CID115550305
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(2-amino-N-ethyl-6-methylanilino)propanenitrile
SMILESCCN(CCC#N)c1c(C)cccc1N
InChIInChI=1S/C12H17N3/c1-3-15(9-5-8-13)12-10(2)6-4-7-11(12)14/h4,6-7H,3,5,9,14H2,1-2H3
InChIKeyFFTCFTSRSSXUPE-UHFFFAOYSA-N
XLogP2.32
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
N,N-diethyl-m-toluidine
CID 66679
N,N'-Di-o-tolylethylenediamine
CID 66759
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
3-(Ethyl(3-methylphenyl)amino)propanenitrile
CID 67363
N-(2-Cyanophenyl)piperazine
CID 2735875
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
Benzenamine, N-ethyl-2-methyl-
CID 7201
2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline
CID 518751
2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile?
The IUPAC name of 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile (CID 115550305) is 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile.
What is the SMILES notation for 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile?
The canonical SMILES for 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile is CCN(CCC#N)c1c(C)cccc1N.
What is the InChIKey of 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile?
The InChIKey is FFTCFTSRSSXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-15(9-5-8-13)12-10(2)6-4-7-11(12)14/h4,6-7H,3,5,9,14H2,1-2H3.
What are the key properties of 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile?
3-(2-amino-N-ethyl-6-methylanilino)propanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-ethyl-6-methylanilino)propanenitrile is sourced from PubChem (CID 115550305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).