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

C13H19N3 — CID 115572947

IUPAC4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNC(C)C2CC2)cc(C#N)n1C
InChIInChI=1S/C13H19N3/c1-9(11-4-5-11)15-8-12-6-13(7-14)16(3)10(12)2/h6,9,11,15H,4-5,8H2,1-3H3
InChIKeyYSUHZUYTJZLXKA-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.09
Rot. Bonds4

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

4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 115572947) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID115572947
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNC(C)C2CC2)cc(C#N)n1C
InChIInChI=1S/C13H19N3/c1-9(11-4-5-11)15-8-12-6-13(7-14)16(3)10(12)2/h6,9,11,15H,4-5,8H2,1-3H3
InChIKeyYSUHZUYTJZLXKA-UHFFFAOYSA-N
XLogP2.09
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572535
4-[(cyclopropylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581351
1,5-dimethyl-4-[(pent-4-en-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115633152
1,5-dimethyl-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]pyrrole-2-carbonitrile
CID 115610921
4-[[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 126772145
1,5-dimethyl-4-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115640075
4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 94778637
4-[(cyclopentylmethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115581124
4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 104865076
4-[(cyclopent-3-en-1-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115696433
1,5-dimethyl-4-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103743384
4-[[(1-ethylcyclobutyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115673864

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 115572947) is 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CNC(C)C2CC2)cc(C#N)n1C.
What is the InChIKey of 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is YSUHZUYTJZLXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(11-4-5-11)15-8-12-6-13(7-14)16(3)10(12)2/h6,9,11,15H,4-5,8H2,1-3H3.
What are the key properties of 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylethylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 115572947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).