5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile

C13H18N2S — CID 107411515

IUPAC5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile
SMILESCC1CCC(CNCc2ccc(C#N)s2)C1
InChIInChI=1S/C13H18N2S/c1-10-2-3-11(6-10)8-15-9-13-5-4-12(7-14)16-13/h4-5,10-11,15H,2-3,6,8-9H2,1H3
InChIKeyNLTPDJOVGLNAHP-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.15
Rot. Bonds4

About 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile

5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile (PubChem CID 107411515) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile
PubChem CID107411515
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile
SMILESCC1CCC(CNCc2ccc(C#N)s2)C1
InChIInChI=1S/C13H18N2S/c1-10-2-3-11(6-10)8-15-9-13-5-4-12(7-14)16-13/h4-5,10-11,15H,2-3,6,8-9H2,1H3
InChIKeyNLTPDJOVGLNAHP-UHFFFAOYSA-N
XLogP3.15
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3-hydroxycyclohexyl)methylamino]methyl]thiophene-2-carbonitrile
CID 103729242
5-[[(2,4-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675868
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]thiophene-2-carbonitrile
CID 113250085
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675922
5-[(pentylamino)methyl]thiophene-2-carbonitrile
CID 115675351
3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107411828
5-[(1-cyclopropylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675866
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
CID 115675957
5-[(1,4-dioxan-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675625
5-[(3-butoxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675311
5-[(2-hydroxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675303
5-[(1,4-dithian-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115696114

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile (CID 107411515) is 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile is CC1CCC(CNCc2ccc(C#N)s2)C1.
What is the InChIKey of 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile?
The InChIKey is NLTPDJOVGLNAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10-2-3-11(6-10)8-15-9-13-5-4-12(7-14)16-13/h4-5,10-11,15H,2-3,6,8-9H2,1H3.
What are the key properties of 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile?
5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile has a molecular weight of 234.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 107411515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).