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

C10H14N2S — CID 82075985

IUPAC2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile
SMILESCCCN(C)C(C#N)c1cccs1
InChIInChI=1S/C10H14N2S/c1-3-6-12(2)9(8-11)10-5-4-7-13-10/h4-5,7,9H,3,6H2,1-2H3
InChIKeyQFZRYXPUIWLEAD-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.65
Rot. Bonds4

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

2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile (PubChem CID 82075985) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile
PubChem CID82075985
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile
SMILESCCCN(C)C(C#N)c1cccs1
InChIInChI=1S/C10H14N2S/c1-3-6-12(2)9(8-11)10-5-4-7-13-10/h4-5,7,9H,3,6H2,1-2H3
InChIKeyQFZRYXPUIWLEAD-UHFFFAOYSA-N
XLogP2.65
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-methylpropyl)amino]-2-thiophen-2-ylacetonitrile
CID 82077721
2-(3-bromophenyl)-2-[methyl(propyl)amino]acetonitrile
CID 82092147
2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
CID 61346756
1-thiophen-2-ylbutylcyanamide
CID 62481656
N',N'-dipropyl-2-thiophen-2-ylpropane-1,3-diamine
CID 82107436
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
2-(2,2-dimethylhydrazinyl)-2-thiophen-2-ylethanamine
CID 83011900
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
2-(dipropylamino)-N-(1-thiophen-2-ylethyl)acetamide
CID 78822073
2-amino-N-[2-(dimethylamino)ethyl]-N-propyl-2-thiophen-2-ylacetamide
CID 113279213
N-methyl-N-(2-phenylethyl)-1-thiophen-2-ylethanamine
CID 78827605

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile?
The IUPAC name of 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile (CID 82075985) is 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile?
The canonical SMILES for 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile is CCCN(C)C(C#N)c1cccs1.
What is the InChIKey of 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile?
The InChIKey is QFZRYXPUIWLEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-6-12(2)9(8-11)10-5-4-7-13-10/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile?
2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile has a molecular weight of 194.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 82075985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).