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

C14H19N3 — CID 79469055

IUPAC3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)C1CCC(N)C1
InChIInChI=1S/C14H19N3/c1-17(14-6-5-13(16)8-14)10-12-4-2-3-11(7-12)9-15/h2-4,7,13-14H,5-6,8,10,16H2,1H3
InChIKeyVZFSMYZWQYDXQQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.87
Rot. Bonds3

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

3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile (PubChem CID 79469055) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
PubChem CID79469055
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile
SMILESCN(Cc1cccc(C#N)c1)C1CCC(N)C1
InChIInChI=1S/C14H19N3/c1-17(14-6-5-13(16)8-14)10-12-4-2-3-11(7-12)9-15/h2-4,7,13-14H,5-6,8,10,16H2,1H3
InChIKeyVZFSMYZWQYDXQQ-UHFFFAOYSA-N
XLogP1.87
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 62545532
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile
CID 62967745
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
1-N-[(3-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468311
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
3-[[methyl-(2-oxocycloheptyl)amino]methyl]benzonitrile
CID 55148231
3-[[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile
CID 67276098
3-[[methyl-(2-oxoazepan-3-yl)amino]methyl]benzonitrile
CID 55153048
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
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3-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzonitrile
CID 79715783

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile (CID 79469055) is 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile is CN(Cc1cccc(C#N)c1)C1CCC(N)C1.
What is the InChIKey of 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile?
The InChIKey is VZFSMYZWQYDXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17(14-6-5-13(16)8-14)10-12-4-2-3-11(7-12)9-15/h2-4,7,13-14H,5-6,8,10,16H2,1H3.
What are the key properties of 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile?
3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminocyclopentyl)-methylamino]methyl]benzonitrile is sourced from PubChem (CID 79469055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).