4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile

C14H19N3 — CID 124671707

IUPAC4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
SMILESCN1CCC[C@@H]1CNCc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3/c1-17-8-2-3-14(17)11-16-10-13-6-4-12(9-15)5-7-13/h4-7,14,16H,2-3,8,10-11H2,1H3/t14-/m1/s1
InChIKeyDEVUMPJLUIZGEE-CQSZACIVSA-N
MW229.33 g/mol
LogP1.74
Rot. Bonds4

About 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile

4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile (PubChem CID 124671707) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
PubChem CID124671707
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile
SMILESCN1CCC[C@@H]1CNCc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3/c1-17-8-2-3-14(17)11-16-10-13-6-4-12(9-15)5-7-13/h4-7,14,16H,2-3,8,10-11H2,1H3/t14-/m1/s1
InChIKeyDEVUMPJLUIZGEE-CQSZACIVSA-N
XLogP1.74
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylpropyl)phenyl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103748214
1-(1-methylpyrrolidin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 103626362
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
2-[3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 106024147
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpyrrolidin-2-yl)methanamine
CID 83960579
2-fluoro-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 106023968
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile (CID 124671707) is 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile is CN1CCC[C@@H]1CNCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile?
The InChIKey is DEVUMPJLUIZGEE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-8-2-3-14(17)11-16-10-13-6-4-12(9-15)5-7-13/h4-7,14,16H,2-3,8,10-11H2,1H3/t14-/m1/s1.
What are the key properties of 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile?
4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-1-methylpyrrolidin-2-yl]methylamino]methyl]benzonitrile is sourced from PubChem (CID 124671707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).