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

C12H17N3 — CID 115581351

IUPAC4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNCC2CC2)cc(C#N)n1C
InChIInChI=1S/C12H17N3/c1-9-11(5-12(6-13)15(9)2)8-14-7-10-3-4-10/h5,10,14H,3-4,7-8H2,1-2H3
InChIKeyCGFFDZPZTPRPMZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.70
Rot. Bonds4

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

4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 115581351) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID115581351
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNCC2CC2)cc(C#N)n1C
InChIInChI=1S/C12H17N3/c1-9-11(5-12(6-13)15(9)2)8-14-7-10-3-4-10/h5,10,14H,3-4,7-8H2,1-2H3
InChIKeyCGFFDZPZTPRPMZ-UHFFFAOYSA-N
XLogP1.70
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581124
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115644918
4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572535
4-[[(1-hydroxycyclopentyl)methylamino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 111114446
4-[(but-2-ynylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115866355
4-[(6-hydroxyhexylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103924161
4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572947
1,5-dimethyl-4-[[(1-methylcyclobutyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103735836
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-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrrole-2-carbonitrile
CID 115581332
1,5-dimethyl-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrrole-2-carbonitrile
CID 115573354
4-[(cyclopent-3-en-1-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115696433

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 115581351) is 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CNCC2CC2)cc(C#N)n1C.
What is the InChIKey of 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is CGFFDZPZTPRPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-11(5-12(6-13)15(9)2)8-14-7-10-3-4-10/h5,10,14H,3-4,7-8H2,1-2H3.
What are the key properties of 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 115581351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).