2-(butylamino)-2-thiophen-3-ylacetonitrile

C10H14N2S — CID 84816606

IUPAC2-(butylamino)-2-thiophen-3-ylacetonitrile
SMILESCCCCNC(C#N)c1ccsc1
InChIInChI=1S/C10H14N2S/c1-2-3-5-12-10(7-11)9-4-6-13-8-9/h4,6,8,10,12H,2-3,5H2,1H3
InChIKeyGZNLDCUHYNERJZ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.70
Rot. Bonds5

About 2-(butylamino)-2-thiophen-3-ylacetonitrile

2-(butylamino)-2-thiophen-3-ylacetonitrile (PubChem CID 84816606) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(butylamino)-2-thiophen-3-ylacetonitrile.

Molecular Properties

Compound Name2-(butylamino)-2-thiophen-3-ylacetonitrile
PubChem CID84816606
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(butylamino)-2-thiophen-3-ylacetonitrile
SMILESCCCCNC(C#N)c1ccsc1
InChIInChI=1S/C10H14N2S/c1-2-3-5-12-10(7-11)9-4-6-13-8-9/h4,6,8,10,12H,2-3,5H2,1H3
InChIKeyGZNLDCUHYNERJZ-UHFFFAOYSA-N
XLogP2.70
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(diethylamino)propylamino]-2-thiophen-3-ylacetonitrile
CID 84817353
2-(3-methylbutylamino)-2-thiophen-3-ylacetonitrile
CID 84817819
N-[3-[[cyano(thiophen-3-yl)methyl]amino]propyl]acetamide
CID 84817868
N-[2-[[cyano(thiophen-3-yl)methyl]amino]ethyl]acetamide
CID 84816863
2-(butylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 84816576
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
2-(butylamino)-2-(4-ethoxyphenyl)acetonitrile
CID 82019956
2-(butylamino)-2-thiophen-3-ylacetic acid
CID 84748440
2-(butylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84816571
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
2-(butylamino)-2-(3-nitrophenyl)acetonitrile
CID 84816583

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-2-thiophen-3-ylacetonitrile?
The IUPAC name of 2-(butylamino)-2-thiophen-3-ylacetonitrile (CID 84816606) is 2-(butylamino)-2-thiophen-3-ylacetonitrile.
What is the SMILES notation for 2-(butylamino)-2-thiophen-3-ylacetonitrile?
The canonical SMILES for 2-(butylamino)-2-thiophen-3-ylacetonitrile is CCCCNC(C#N)c1ccsc1.
What is the InChIKey of 2-(butylamino)-2-thiophen-3-ylacetonitrile?
The InChIKey is GZNLDCUHYNERJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-3-5-12-10(7-11)9-4-6-13-8-9/h4,6,8,10,12H,2-3,5H2,1H3.
What are the key properties of 2-(butylamino)-2-thiophen-3-ylacetonitrile?
2-(butylamino)-2-thiophen-3-ylacetonitrile has a molecular weight of 194.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-2-thiophen-3-ylacetonitrile is sourced from PubChem (CID 84816606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).