3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile

C11H17N3 — CID 115254376

IUPAC3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
SMILESCC(C)C(C#N)CN(C)c1ccc[nH]1
InChIInChI=1S/C11H17N3/c1-9(2)10(7-12)8-14(3)11-5-4-6-13-11/h4-6,9-10,13H,8H2,1-3H3
InChIKeyVAZRNKKFIJPDPA-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.25
Rot. Bonds4

About 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile

3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile (PubChem CID 115254376) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
PubChem CID115254376
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
SMILESCC(C)C(C#N)CN(C)c1ccc[nH]1
InChIInChI=1S/C11H17N3/c1-9(2)10(7-12)8-14(3)11-5-4-6-13-11/h4-6,9-10,13H,8H2,1-3H3
InChIKeyVAZRNKKFIJPDPA-UHFFFAOYSA-N
XLogP2.25
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
CID 115130858
2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile
CID 115130011
3-methyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115219832
3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile
CID 115254409
3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
CID 115254408
3-methyl-2-[[methyl-(5-methylfuran-2-yl)amino]methyl]butanenitrile
CID 115254413
3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile
CID 115254418
3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
CID 115247892
3-methyl-2-[[methyl(1H-pyrrol-3-ylmethyl)amino]methyl]butanenitrile
CID 115254569
2-[methyl(1H-pyrrol-2-ylmethyl)amino]propanenitrile
CID 115130274
N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine
CID 115215519
2-[(dibenzylamino)methyl]-3-methylbutanenitrile
CID 131059101

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile?
The IUPAC name of 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile (CID 115254376) is 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile?
The canonical SMILES for 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile is CC(C)C(C#N)CN(C)c1ccc[nH]1.
What is the InChIKey of 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile?
The InChIKey is VAZRNKKFIJPDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(2)10(7-12)8-14(3)11-5-4-6-13-11/h4-6,9-10,13H,8H2,1-3H3.
What are the key properties of 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile?
3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile has a molecular weight of 191.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile is sourced from PubChem (CID 115254376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).