3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile

C10H14N2S — CID 63774352

IUPAC3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
SMILESCN(CCC#N)CCc1cccs1
InChIInChI=1S/C10H14N2S/c1-12(7-3-6-11)8-5-10-4-2-9-13-10/h2,4,9H,3,5,7-8H2,1H3
InChIKeyXWQDZTQEOWJQFA-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.14
Rot. Bonds5

About 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile

3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile (PubChem CID 63774352) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
PubChem CID63774352
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
SMILESCN(CCC#N)CCc1cccs1
InChIInChI=1S/C10H14N2S/c1-12(7-3-6-11)8-5-10-4-2-9-13-10/h2,4,9H,3,5,7-8H2,1H3
InChIKeyXWQDZTQEOWJQFA-UHFFFAOYSA-N
XLogP2.14
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
CID 79485974
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
CID 79476605
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile?
The IUPAC name of 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile (CID 63774352) is 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile is CN(CCC#N)CCc1cccs1.
What is the InChIKey of 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile?
The InChIKey is XWQDZTQEOWJQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-12(7-3-6-11)8-5-10-4-2-9-13-10/h2,4,9H,3,5,7-8H2,1H3.
What are the key properties of 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile?
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile has a molecular weight of 194.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile is sourced from PubChem (CID 63774352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).