2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile

C11H16N2S — CID 82077721

IUPAC2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile
SMILESCC(C)CN(C)C(C#N)c1cccs1
InChIInChI=1S/C11H16N2S/c1-9(2)8-13(3)10(7-12)11-5-4-6-14-11/h4-6,9-10H,8H2,1-3H3
InChIKeyGLNUFNLKPKOSGU-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.90
Rot. Bonds4

About 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile

2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile (PubChem CID 82077721) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile
PubChem CID82077721
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile
SMILESCC(C)CN(C)C(C#N)c1cccs1
InChIInChI=1S/C11H16N2S/c1-9(2)8-13(3)10(7-12)11-5-4-6-14-11/h4-6,9-10H,8H2,1-3H3
InChIKeyGLNUFNLKPKOSGU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile
CID 82075985
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
2-propan-2-ylthiophene
CID 178128598
2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
CID 61346756
N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366231
2-(6-methylheptan-2-yl)thiophene
CID 141463687
3,3,3-trifluoro-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]propanenitrile
CID 103367963
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 110882281
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61005240

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile?
The IUPAC name of 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile (CID 82077721) is 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile?
The canonical SMILES for 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile is CC(C)CN(C)C(C#N)c1cccs1.
What is the InChIKey of 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile?
The InChIKey is GLNUFNLKPKOSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9(2)8-13(3)10(7-12)11-5-4-6-14-11/h4-6,9-10H,8H2,1-3H3.
What are the key properties of 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile?
2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile has a molecular weight of 208.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 82077721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).