3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile

C12H17N3 — CID 43188866

IUPAC3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
SMILESCC(N)c1ccccc1N(C)CCC#N
InChIInChI=1S/C12H17N3/c1-10(14)11-6-3-4-7-12(11)15(2)9-5-8-13/h3-4,6-7,10H,5,9,14H2,1-2H3
InChIKeyOTKASUJQGMNYSM-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.06
Rot. Bonds4

About 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile

3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile (PubChem CID 43188866) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
PubChem CID43188866
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
SMILESCC(N)c1ccccc1N(C)CCC#N
InChIInChI=1S/C12H17N3/c1-10(14)11-6-3-4-7-12(11)15(2)9-5-8-13/h3-4,6-7,10H,5,9,14H2,1-2H3
InChIKeyOTKASUJQGMNYSM-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile
CID 43284304
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
3-[[2-amino-1-(2-methylphenyl)propyl]-methylamino]propanenitrile
CID 55018083
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
3-[[2-amino-1-(2-bromophenyl)propyl]-methylamino]propanenitrile
CID 55022343

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile?
The IUPAC name of 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile (CID 43188866) is 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile.
What is the SMILES notation for 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile?
The canonical SMILES for 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile is CC(N)c1ccccc1N(C)CCC#N.
What is the InChIKey of 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile?
The InChIKey is OTKASUJQGMNYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10(14)11-6-3-4-7-12(11)15(2)9-5-8-13/h3-4,6-7,10H,5,9,14H2,1-2H3.
What are the key properties of 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile?
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile is sourced from PubChem (CID 43188866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).