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

C11H16N2S — CID 61005240

IUPAC4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
SMILESCC(C)CC(C#N)NCc1cccs1
InChIInChI=1S/C11H16N2S/c1-9(2)6-10(7-12)13-8-11-4-3-5-14-11/h3-5,9-10,13H,6,8H2,1-2H3
InChIKeyYADDHIJWDXJRJD-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.78
Rot. Bonds5

About 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile

4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile (PubChem CID 61005240) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
PubChem CID61005240
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
SMILESCC(C)CC(C#N)NCc1cccs1
InChIInChI=1S/C11H16N2S/c1-9(2)6-10(7-12)13-8-11-4-3-5-14-11/h3-5,9-10,13H,6,8H2,1-2H3
InChIKeyYADDHIJWDXJRJD-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

3-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile
CID 61318743
2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
CID 115641765
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
1-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115615676
2-cyclopentyl-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62071589
2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833
2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104822436
amino-(thiophen-2-ylmethylamino)methanol
CID 138478180
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile?
The IUPAC name of 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile (CID 61005240) is 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile.
What is the SMILES notation for 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile?
The canonical SMILES for 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile is CC(C)CC(C#N)NCc1cccs1.
What is the InChIKey of 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile?
The InChIKey is YADDHIJWDXJRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9(2)6-10(7-12)13-8-11-4-3-5-14-11/h3-5,9-10,13H,6,8H2,1-2H3.
What are the key properties of 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile?
4-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 4-methyl-2-(thiophen-2-ylmethylamino)pentanenitrile is sourced from PubChem (CID 61005240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).