5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile

C11H16N2S — CID 115869616

IUPAC5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
SMILESCC(C)CNC(C)c1ccc(C#N)s1
InChIInChI=1S/C11H16N2S/c1-8(2)7-13-9(3)11-5-4-10(6-12)14-11/h4-5,8-9,13H,7H2,1-3H3
InChIKeyXDOQCMHRMCDEHY-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.93
Rot. Bonds4

About 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile

5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile (PubChem CID 115869616) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
PubChem CID115869616
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
SMILESCC(C)CNC(C)c1ccc(C#N)s1
InChIInChI=1S/C11H16N2S/c1-8(2)7-13-9(3)11-5-4-10(6-12)14-11/h4-5,8-9,13H,7H2,1-3H3
InChIKeyXDOQCMHRMCDEHY-UHFFFAOYSA-N
XLogP2.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115903591
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
CID 115905377
5-propan-2-ylthiophene-2-carbonitrile
CID 59218723
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 115675506
5-[1-(1-methylsulfanylbutan-2-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903739
5-[1-(4-methoxybutan-2-ylamino)ethyl]thiophene-2-carbonitrile
CID 115869663
5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile
CID 115929677
5-[1-[(3-methyloxolan-3-yl)amino]ethyl]thiophene-2-carbonitrile
CID 115922586
5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903686
5-[(1S)-1-amino-2-hydroxyethyl]thiophene-2-carbonitrile
CID 130852480
5-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]thiophene-2-carbonitrile
CID 104865144
5-[(1-cyanopropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 104586907

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile (CID 115869616) is 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile is CC(C)CNC(C)c1ccc(C#N)s1.
What is the InChIKey of 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile?
The InChIKey is XDOQCMHRMCDEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8(2)7-13-9(3)11-5-4-10(6-12)14-11/h4-5,8-9,13H,7H2,1-3H3.
What are the key properties of 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile?
5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile has a molecular weight of 208.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115869616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).