3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile

C11H16N2S — CID 61318743

IUPAC3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
SMILESCCC(C)C(C#N)NCc1cccs1
InChIInChI=1S/C11H16N2S/c1-3-9(2)11(7-12)13-8-10-5-4-6-14-10/h4-6,9,11,13H,3,8H2,1-2H3
InChIKeyGSHIAUQGDCSDOM-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.78
Rot. Bonds5

About 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile

3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile (PubChem CID 61318743) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
PubChem CID61318743
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
SMILESCCC(C)C(C#N)NCc1cccs1
InChIInChI=1S/C11H16N2S/c1-3-9(2)11(7-12)13-8-10-5-4-6-14-10/h4-6,9,11,13H,3,8H2,1-2H3
InChIKeyGSHIAUQGDCSDOM-UHFFFAOYSA-N
XLogP2.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61005240
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
ethyl 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115615676
2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62071589
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile?
The IUPAC name of 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile (CID 61318743) is 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile.
What is the SMILES notation for 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile?
The canonical SMILES for 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile is CCC(C)C(C#N)NCc1cccs1.
What is the InChIKey of 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile?
The InChIKey is GSHIAUQGDCSDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-3-9(2)11(7-12)13-8-10-5-4-6-14-10/h4-6,9,11,13H,3,8H2,1-2H3.
What are the key properties of 3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile?
3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile has a molecular weight of 208.33 g/mol, XLogP of 2.78, 5 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-ylmethylamino)pentanenitrile is sourced from PubChem (CID 61318743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).