4-[(2-cyanocyclopentyl)-methylamino]benzonitrile

C14H15N3 — CID 55140211

IUPAC4-[(2-cyanocyclopentyl)-methylamino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)C1CCCC1C#N
InChIInChI=1S/C14H15N3/c1-17(14-4-2-3-12(14)10-16)13-7-5-11(9-15)6-8-13/h5-8,12,14H,2-4H2,1H3
InChIKeyXLHMASUHZVYVBK-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.69
Rot. Bonds2

About 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile

4-[(2-cyanocyclopentyl)-methylamino]benzonitrile (PubChem CID 55140211) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(2-cyanocyclopentyl)-methylamino]benzonitrile
PubChem CID55140211
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name4-[(2-cyanocyclopentyl)-methylamino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)C1CCCC1C#N
InChIInChI=1S/C14H15N3/c1-17(14-4-2-3-12(14)10-16)13-7-5-11(9-15)6-8-13/h5-8,12,14H,2-4H2,1H3
InChIKeyXLHMASUHZVYVBK-UHFFFAOYSA-N
XLogP2.69
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile?
The IUPAC name of 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile (CID 55140211) is 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile.
What is the SMILES notation for 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile?
The canonical SMILES for 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile is CN(c1ccc(C#N)cc1)C1CCCC1C#N.
What is the InChIKey of 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile?
The InChIKey is XLHMASUHZVYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-17(14-4-2-3-12(14)10-16)13-7-5-11(9-15)6-8-13/h5-8,12,14H,2-4H2,1H3.
What are the key properties of 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile?
4-[(2-cyanocyclopentyl)-methylamino]benzonitrile has a molecular weight of 225.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanocyclopentyl)-methylamino]benzonitrile is sourced from PubChem (CID 55140211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).