3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile

C15H20N2 — CID 107411828

IUPAC3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
SMILESCC1CCC(CNCc2cccc(C#N)c2)C1
InChIInChI=1S/C15H20N2/c1-12-5-6-15(7-12)11-17-10-14-4-2-3-13(8-14)9-16/h2-4,8,12,15,17H,5-7,10-11H2,1H3
InChIKeyLROFAKMRASMEEB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.08
Rot. Bonds4

About 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile

3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile (PubChem CID 107411828) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
PubChem CID107411828
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
SMILESCC1CCC(CNCc2cccc(C#N)c2)C1
InChIInChI=1S/C15H20N2/c1-12-5-6-15(7-12)11-17-10-14-4-2-3-13(8-14)9-16/h2-4,8,12,15,17H,5-7,10-11H2,1H3
InChIKeyLROFAKMRASMEEB-UHFFFAOYSA-N
XLogP3.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(thian-2-ylmethylamino)methyl]benzonitrile
CID 80600472
3-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]benzonitrile
CID 62526546
3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105210
5-[[(3-methylcyclopentyl)methylamino]methyl]thiophene-2-carbonitrile
CID 107411515
3-[(3-butoxypropylamino)methyl]benzonitrile
CID 83303573
3-[[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]benzonitrile
CID 126837996
3-[[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]benzonitrile
CID 126922513
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
CID 64908206
3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]benzonitrile
CID 60732885

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile (CID 107411828) is 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile is CC1CCC(CNCc2cccc(C#N)c2)C1.
What is the InChIKey of 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile?
The InChIKey is LROFAKMRASMEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-5-6-15(7-12)11-17-10-14-4-2-3-13(8-14)9-16/h2-4,8,12,15,17H,5-7,10-11H2,1H3.
What are the key properties of 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile?
3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 107411828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).