3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile

C10H14N2S — CID 115254214

IUPAC3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile
SMILESCC(C)C(C#N)CNc1cccs1
InChIInChI=1S/C10H14N2S/c1-8(2)9(6-11)7-12-10-4-3-5-13-10/h3-5,8-9,12H,7H2,1-2H3
InChIKeyRBAWWPDHGLVYTJ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.96
Rot. Bonds4

About 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile

3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile (PubChem CID 115254214) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile
PubChem CID115254214
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile
SMILESCC(C)C(C#N)CNc1cccs1
InChIInChI=1S/C10H14N2S/c1-8(2)9(6-11)7-12-10-4-3-5-13-10/h3-5,8-9,12H,7H2,1-2H3
InChIKeyRBAWWPDHGLVYTJ-UHFFFAOYSA-N
XLogP2.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiophen-2-ylamino)propanenitrile
CID 115129839
N-methyl-2-propan-2-yl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115252656
2,2-dimethyl-3-(thiophen-2-ylamino)propanenitrile
CID 115233744
2-ethyl-N'-thiophen-2-ylpropane-1,3-diamine
CID 115251177
N-(2-piperazin-1-ylpropyl)thiophen-2-amine
CID 115255603
N-propylthiophen-2-amine;hydrochloride
CID 22714339
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 90458389
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
3-methyl-2-[(4-propylanilino)methyl]butanenitrile
CID 115254222
3-methyl-2-[(2,4,5-trimethylanilino)methyl]butanenitrile
CID 115254260
3-methyl-2-[(2,3,5,6-tetramethylanilino)methyl]butanenitrile
CID 115254234
2-methyl-4-(thiophen-2-ylamino)butanoic acid
CID 115220490

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile?
The IUPAC name of 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile (CID 115254214) is 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile?
The canonical SMILES for 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile is CC(C)C(C#N)CNc1cccs1.
What is the InChIKey of 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile?
The InChIKey is RBAWWPDHGLVYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-8(2)9(6-11)7-12-10-4-3-5-13-10/h3-5,8-9,12H,7H2,1-2H3.
What are the key properties of 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile?
3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile has a molecular weight of 194.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(thiophen-2-ylamino)methyl]butanenitrile is sourced from PubChem (CID 115254214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).