1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile

C12H17N3 — CID 103203606

IUPAC1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CNC2(C)CCC2)cc1C#N
InChIInChI=1S/C12H17N3/c1-12(4-3-5-12)14-8-10-6-11(7-13)15(2)9-10/h6,9,14H,3-5,8H2,1-2H3
InChIKeyJWXZVQCKLSMWKY-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.93
Rot. Bonds3

About 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile

1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile (PubChem CID 103203606) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile
PubChem CID103203606
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CNC2(C)CCC2)cc1C#N
InChIInChI=1S/C12H17N3/c1-12(4-3-5-12)14-8-10-6-11(7-13)15(2)9-10/h6,9,14H,3-5,8H2,1-2H3
InChIKeyJWXZVQCKLSMWKY-UHFFFAOYSA-N
XLogP1.93
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203633
1-methyl-4-[[(1-methylcyclopentyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103203301
4-[(cyclohexylmethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202700
4-[(1,3-dihydroxypropan-2-ylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203356
1-methyl-4-[(2-methylpropoxyamino)methyl]pyrrole-2-carbonitrile
CID 103203502
1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]pyrrole-2-carbonitrile
CID 103202437
4-[(2,2-dimethoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203040
4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202449
4-[(3-cyclopentylpropylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103527016
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-[(oxetan-3-ylamino)methyl]pyrrole-2-carbonitrile
CID 103203405

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile (CID 103203606) is 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile is Cn1cc(CNC2(C)CCC2)cc1C#N.
What is the InChIKey of 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile?
The InChIKey is JWXZVQCKLSMWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(4-3-5-12)14-8-10-6-11(7-13)15(2)9-10/h6,9,14H,3-5,8H2,1-2H3.
What are the key properties of 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile?
1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(1-methylcyclobutyl)amino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 103203606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).