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

C15H21N3 — CID 63275779

IUPAC2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
SMILESCN1CCC(CN(C)Cc2ccccc2C#N)C1
InChIInChI=1S/C15H21N3/c1-17-8-7-13(10-17)11-18(2)12-15-6-4-3-5-14(15)9-16/h3-6,13H,7-8,10-12H2,1-2H3
InChIKeyQEPWTWPGWDQSHW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.94
Rot. Bonds4

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

2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile (PubChem CID 63275779) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
PubChem CID63275779
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
SMILESCN1CCC(CN(C)Cc2ccccc2C#N)C1
InChIInChI=1S/C15H21N3/c1-17-8-7-13(10-17)11-18(2)12-15-6-4-3-5-14(15)9-16/h3-6,13H,7-8,10-12H2,1-2H3
InChIKeyQEPWTWPGWDQSHW-UHFFFAOYSA-N
XLogP1.94
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 104982822
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716455
2-[[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 131950482
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 63234456
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
2-[[methyl-(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 56785970

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile (CID 63275779) is 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile is CN1CCC(CN(C)Cc2ccccc2C#N)C1.
What is the InChIKey of 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is QEPWTWPGWDQSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-8-7-13(10-17)11-18(2)12-15-6-4-3-5-14(15)9-16/h3-6,13H,7-8,10-12H2,1-2H3.
What are the key properties of 2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile?
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 1.94, 4 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]methyl]benzonitrile is sourced from PubChem (CID 63275779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).