2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile

C10H15N3S — CID 61346756

IUPAC2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
SMILESCN(C)CCNC(C#N)c1cccs1
InChIInChI=1S/C10H15N3S/c1-13(2)6-5-12-9(8-11)10-4-3-7-14-10/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyDJTIILNSXMWNBQ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.46
Rot. Bonds5

About 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile

2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile (PubChem CID 61346756) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
PubChem CID61346756
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
SMILESCN(C)CCNC(C#N)c1cccs1
InChIInChI=1S/C10H15N3S/c1-13(2)6-5-12-9(8-11)10-4-3-7-14-10/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyDJTIILNSXMWNBQ-UHFFFAOYSA-N
XLogP1.46
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethylamino]-1-thiophen-2-ylpropan-1-ol
CID 82314461
2-[cyano-[2-(dimethylamino)ethylamino]methyl]benzonitrile
CID 114017997
2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889204
2-[2-(dimethylamino)ethylamino]-2-(4-methoxyphenyl)acetonitrile
CID 54889344
ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
CID 61347720
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
N',N'-dimethyl-N-(1-thiophen-2-ylbutyl)propane-1,3-diamine
CID 104578061
2-[methyl(propyl)amino]-2-thiophen-2-ylacetonitrile
CID 82075985
2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
CID 94281991
2-[3-(dimethylamino)propylamino]-2-(4-methylphenyl)acetonitrile
CID 112500742
2-(4-bromothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
CID 61347182
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile (CID 61346756) is 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile is CN(C)CCNC(C#N)c1cccs1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile?
The InChIKey is DJTIILNSXMWNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-13(2)6-5-12-9(8-11)10-4-3-7-14-10/h3-4,7,9,12H,5-6H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile?
2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile has a molecular weight of 209.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile is sourced from PubChem (CID 61346756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).