2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile

C14H19N3 — CID 63274069

IUPAC2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
SMILESCN1CCC(CN(C)c2ccccc2C#N)C1
InChIInChI=1S/C14H19N3/c1-16-8-7-12(10-16)11-17(2)14-6-4-3-5-13(14)9-15/h3-6,12H,7-8,10-11H2,1-2H3
InChIKeyIMSZGYMZAIFRHE-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.95
Rot. Bonds3

About 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile (PubChem CID 63274069) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
PubChem CID63274069
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
SMILESCN1CCC(CN(C)c2ccccc2C#N)C1
InChIInChI=1S/C14H19N3/c1-16-8-7-12(10-16)11-17(2)14-6-4-3-5-13(14)9-15/h3-6,12H,7-8,10-11H2,1-2H3
InChIKeyIMSZGYMZAIFRHE-UHFFFAOYSA-N
XLogP1.95
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 63234456
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 114287570
5-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63273515
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 63275779
2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275703
2-(2-aminopropyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63793436
4-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 55173458
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63274111
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzonitrile
CID 79314436
3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-nitroaniline
CID 55172215
2-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275924

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile (CID 63274069) is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile is CN1CCC(CN(C)c2ccccc2C#N)C1.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile?
The InChIKey is IMSZGYMZAIFRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-8-7-12(10-16)11-17(2)14-6-4-3-5-13(14)9-15/h3-6,12H,7-8,10-11H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile?
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile is sourced from PubChem (CID 63274069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).