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

C13H18N2S — CID 115903591

IUPAC5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
SMILESCC(NCC(C)C1CC1)c1ccc(C#N)s1
InChIInChI=1S/C13H18N2S/c1-9(11-3-4-11)8-15-10(2)13-6-5-12(7-14)16-13/h5-6,9-11,15H,3-4,8H2,1-2H3
InChIKeyZHSFHLLAGWTSPN-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.32
Rot. Bonds5

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

5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile (PubChem CID 115903591) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
PubChem CID115903591
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile
SMILESCC(NCC(C)C1CC1)c1ccc(C#N)s1
InChIInChI=1S/C13H18N2S/c1-9(11-3-4-11)8-15-10(2)13-6-5-12(7-14)16-13/h5-6,9-11,15H,3-4,8H2,1-2H3
InChIKeyZHSFHLLAGWTSPN-UHFFFAOYSA-N
XLogP3.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2-methylpropylamino)ethyl]thiophene-2-carbonitrile
CID 115869616
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
CID 115905377
5-[(R)-amino(cyclopropyl)methyl]thiophene-2-carbonitrile
CID 130877567
5-propan-2-ylthiophene-2-carbonitrile
CID 59218723
5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903686
2-cyclopropyl-N-(1-phenylethyl)propan-1-amine
CID 115638910
5-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]thiophene-2-carbonitrile
CID 115675506
5-[1-[(1-methylcyclobutyl)amino]ethyl]thiophene-2-carbonitrile
CID 115929677
5-[1-(1-methylsulfanylbutan-2-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903739
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile (CID 115903591) is 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile is CC(NCC(C)C1CC1)c1ccc(C#N)s1.
What is the InChIKey of 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile?
The InChIKey is ZHSFHLLAGWTSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9(11-3-4-11)8-15-10(2)13-6-5-12(7-14)16-13/h5-6,9-11,15H,3-4,8H2,1-2H3.
What are the key properties of 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile?
5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile has a molecular weight of 234.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclopropylpropylamino)ethyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115903591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).