4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile

C14H21N3 — CID 115581124

IUPAC4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNCC2CCCC2)cc(C#N)n1C
InChIInChI=1S/C14H21N3/c1-11-13(7-14(8-15)17(11)2)10-16-9-12-5-3-4-6-12/h7,12,16H,3-6,9-10H2,1-2H3
InChIKeyIDUYNQLPVGAPPN-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.48
Rot. Bonds4

About 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 115581124) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID115581124
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNCC2CCCC2)cc(C#N)n1C
InChIInChI=1S/C14H21N3/c1-11-13(7-14(8-15)17(11)2)10-16-9-12-5-3-4-6-12/h7,12,16H,3-6,9-10H2,1-2H3
InChIKeyIDUYNQLPVGAPPN-UHFFFAOYSA-N
XLogP2.48
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581351
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115644918
4-[[(1-hydroxycyclopentyl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 111114446
4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572535
1,5-dimethyl-4-[[(1-methylcyclobutyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103735836
1,5-dimethyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrrole-2-carbonitrile
CID 115581332
1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile
CID 97002158
1,5-dimethyl-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]pyrrole-2-carbonitrile
CID 115610921
4-[(but-2-ynylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115866355
4-[[(1-ethylcyclobutyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115673864
4-[(6-hydroxyhexylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103924161
4-[(cyclohexylmethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202700

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 115581124) is 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CNCC2CCCC2)cc(C#N)n1C.
What is the InChIKey of 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is IDUYNQLPVGAPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-13(7-14(8-15)17(11)2)10-16-9-12-5-3-4-6-12/h7,12,16H,3-6,9-10H2,1-2H3.
What are the key properties of 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 115581124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).