1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile

C14H21N3 — CID 103203301

IUPAC1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CNCC2(C)CCCC2)cc1C#N
InChIInChI=1S/C14H21N3/c1-14(5-3-4-6-14)11-16-9-12-7-13(8-15)17(2)10-12/h7,10,16H,3-6,9,11H2,1-2H3
InChIKeyBOLKSDKYBHPJAS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.57
Rot. Bonds4

About 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile

1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile (PubChem CID 103203301) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile
PubChem CID103203301
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CNCC2(C)CCCC2)cc1C#N
InChIInChI=1S/C14H21N3/c1-14(5-3-4-6-14)11-16-9-12-7-13(8-15)17(2)10-12/h7,10,16H,3-6,9,11H2,1-2H3
InChIKeyBOLKSDKYBHPJAS-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile
CID 103203606
4-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203633
1,5-dimethyl-4-[[(1-methylcyclobutyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103735836
1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]pyrrole-2-carbonitrile
CID 103202437
4-[(3-cyclopentylpropylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103527016
4-[(1,3-dihydroxypropan-2-ylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203356
4-[(2-bromoprop-2-enylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203579
1-methyl-4-[(2,2,3-trimethylbutylamino)methyl]pyrrole-2-carbonitrile
CID 103527727
1-methyl-4-[(thiophen-3-ylmethylamino)methyl]pyrrole-2-carbonitrile
CID 103203285
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203381
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094805
1-methyl-4-[(oxetan-3-ylamino)methyl]pyrrole-2-carbonitrile
CID 103203405

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile (CID 103203301) is 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile is Cn1cc(CNCC2(C)CCCC2)cc1C#N.
What is the InChIKey of 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile?
The InChIKey is BOLKSDKYBHPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(5-3-4-6-14)11-16-9-12-7-13(8-15)17(2)10-12/h7,10,16H,3-6,9,11H2,1-2H3.
What are the key properties of 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile?
1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 103203301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).