5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile

C13H18N2S — CID 115680373

IUPAC5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile
SMILESCC1(C)CCCC1NCc1ccc(C#N)s1
InChIInChI=1S/C13H18N2S/c1-13(2)7-3-4-12(13)15-9-11-6-5-10(8-14)16-11/h5-6,12,15H,3-4,7,9H2,1-2H3
InChIKeyNXNUNEDELVGVRU-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.29
Rot. Bonds3

About 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile

5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile (PubChem CID 115680373) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile
PubChem CID115680373
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile
SMILESCC1(C)CCCC1NCc1ccc(C#N)s1
InChIInChI=1S/C13H18N2S/c1-13(2)7-3-4-12(13)15-9-11-6-5-10(8-14)16-11/h5-6,12,15H,3-4,7,9H2,1-2H3
InChIKeyNXNUNEDELVGVRU-UHFFFAOYSA-N
XLogP3.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 102836459
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675922
5-[(1-cyclopentylethylamino)methyl]thiophene-2-carbonitrile
CID 115675878
5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]thiophene-2-carbonitrile
CID 115685158
5-[[(2,4-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675868
5-[[(1-hydroxycyclobutyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675851
5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile
CID 129322683
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
5-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]thiophene-2-carbonitrile
CID 113250034
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
5-[[(1-ethylcyclopropyl)methylamino]methyl]thiophene-2-carbonitrile
CID 103735569
5-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]thiophene-2-carbonitrile
CID 115909562

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile (CID 115680373) is 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile is CC1(C)CCCC1NCc1ccc(C#N)s1.
What is the InChIKey of 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile?
The InChIKey is NXNUNEDELVGVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-13(2)7-3-4-12(13)15-9-11-6-5-10(8-14)16-11/h5-6,12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile?
5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile has a molecular weight of 234.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethylcyclopentyl)amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115680373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).