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

C15H21N3 — CID 79313570

IUPAC3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)CC1CCCN1C
InChIInChI=1S/C15H21N3/c1-17(12-15-7-4-8-18(15)2)11-14-6-3-5-13(9-14)10-16/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3
InChIKeyKCPFMAYISDBBNS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.08
Rot. Bonds4

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

3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile (PubChem CID 79313570) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
PubChem CID79313570
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)CC1CCCN1C
InChIInChI=1S/C15H21N3/c1-17(12-15-7-4-8-18(15)2)11-14-6-3-5-13(9-14)10-16/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3
InChIKeyKCPFMAYISDBBNS-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
CID 79304453
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
3-fluoro-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile
CID 79314064
3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 62545532
N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
CID 79309474
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
3-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]benzonitrile
CID 55066732
3-[[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344064
3-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344063
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82983909
4-[1-hydroxy-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]benzonitrile
CID 79314734
2-ethoxy-4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982737

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile (CID 79313570) is 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1)CC1CCCN1C.
What is the InChIKey of 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is KCPFMAYISDBBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17(12-15-7-4-8-18(15)2)11-14-6-3-5-13(9-14)10-16/h3,5-6,9,15H,4,7-8,11-12H2,1-2H3.
What are the key properties of 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile?
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 79313570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).