2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile

C11H16N2S — CID 115130607

IUPAC2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile
SMILESCc1ccsc1CCN(C)C(C)C#N
InChIInChI=1S/C11H16N2S/c1-9-5-7-14-11(9)4-6-13(3)10(2)8-12/h5,7,10H,4,6H2,1-3H3
InChIKeyAHPMNTYJXWZJIO-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.44
Rot. Bonds4

About 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile

2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile (PubChem CID 115130607) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile
PubChem CID115130607
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile
SMILESCc1ccsc1CCN(C)C(C)C#N
InChIInChI=1S/C11H16N2S/c1-9-5-7-14-11(9)4-6-13(3)10(2)8-12/h5,7,10H,4,6H2,1-3H3
InChIKeyAHPMNTYJXWZJIO-UHFFFAOYSA-N
XLogP2.44
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115130337
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598
3-methyl-2-[[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254717
3-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propane-1,2-diol
CID 115122472
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]butanenitrile
CID 115253986
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
N'-methyl-N'-[2-(3-methylthiophen-2-yl)ethyl]butane-1,4-diamine
CID 115201578
2-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]propanenitrile
CID 115130526
2-(3-methylthiophen-2-yl)propanenitrile
CID 63992078
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2-(3-bromopropyl)-3-methylthiophene
CID 19688419

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile?
The IUPAC name of 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile (CID 115130607) is 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile.
What is the SMILES notation for 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile?
The canonical SMILES for 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile is Cc1ccsc1CCN(C)C(C)C#N.
What is the InChIKey of 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile?
The InChIKey is AHPMNTYJXWZJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9-5-7-14-11(9)4-6-13(3)10(2)8-12/h5,7,10H,4,6H2,1-3H3.
What are the key properties of 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile?
2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile has a molecular weight of 208.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile is sourced from PubChem (CID 115130607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).