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

C17H25N3 — CID 131950482

IUPAC2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)CC1CCN(C)C1(C)C
InChIInChI=1S/C17H25N3/c1-17(2)16(9-10-20(17)4)13-19(3)12-15-8-6-5-7-14(15)11-18/h5-8,16H,9-10,12-13H2,1-4H3
InChIKeyRGPCWDROMDIXDW-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.72
Rot. Bonds4

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

2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile (PubChem CID 131950482) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
PubChem CID131950482
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
SMILESCN(Cc1ccccc1C#N)CC1CCN(C)C1(C)C
InChIInChI=1S/C17H25N3/c1-17(2)16(9-10-20(17)4)13-19(3)12-15-8-6-5-7-14(15)11-18/h5-8,16H,9-10,12-13H2,1-4H3
InChIKeyRGPCWDROMDIXDW-UHFFFAOYSA-N
XLogP2.72
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile (CID 131950482) is 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile is CN(Cc1ccccc1C#N)CC1CCN(C)C1(C)C.
What is the InChIKey of 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is RGPCWDROMDIXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2)16(9-10-20(17)4)13-19(3)12-15-8-6-5-7-14(15)11-18/h5-8,16H,9-10,12-13H2,1-4H3.
What are the key properties of 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile?
2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 271.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 131950482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).