2-(3-aminocyclohexyl)oxybenzonitrile

C13H16N2O — CID 79465738

IUPAC2-(3-aminocyclohexyl)oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCCC(N)C1
InChIInChI=1S/C13H16N2O/c14-9-10-4-1-2-7-13(10)16-12-6-3-5-11(15)8-12/h1-2,4,7,11-12H,3,5-6,8,15H2
InChIKeyKXFXVPUHRYONPB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.21
Rot. Bonds2

About 2-(3-aminocyclohexyl)oxybenzonitrile

2-(3-aminocyclohexyl)oxybenzonitrile (PubChem CID 79465738) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)oxybenzonitrile.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)oxybenzonitrile
PubChem CID79465738
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(3-aminocyclohexyl)oxybenzonitrile
SMILESN#Cc1ccccc1OC1CCCC(N)C1
InChIInChI=1S/C13H16N2O/c14-9-10-4-1-2-7-13(10)16-12-6-3-5-11(15)8-12/h1-2,4,7,11-12H,3,5-6,8,15H2
InChIKeyKXFXVPUHRYONPB-UHFFFAOYSA-N
XLogP2.21
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclopentyl)oxybenzonitrile
CID 79465196
2-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052783
2-(4-aminocyclohexyl)oxybenzonitrile;hydrochloride
CID 54592821
3-(3-aminocyclopentyl)oxy-2-nitrobenzonitrile
CID 113445120
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052792
2-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292568
4-(3-aminocyclohexyl)oxy-2-(trifluoromethyl)benzonitrile
CID 79466047
3-(3-fluoro-2-nitrophenoxy)cyclohexan-1-amine
CID 79465954
2-[(1S,2S)-2-hydroxycyclohexyl]oxybenzonitrile
CID 102732456
ethane;2-[(3R)-oxolan-3-yl]oxybenzonitrile
CID 144718283
2-(2-adamantyloxy)benzonitrile
CID 117052786
2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)oxybenzonitrile?
The IUPAC name of 2-(3-aminocyclohexyl)oxybenzonitrile (CID 79465738) is 2-(3-aminocyclohexyl)oxybenzonitrile.
What is the SMILES notation for 2-(3-aminocyclohexyl)oxybenzonitrile?
The canonical SMILES for 2-(3-aminocyclohexyl)oxybenzonitrile is N#Cc1ccccc1OC1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)oxybenzonitrile?
The InChIKey is KXFXVPUHRYONPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-10-4-1-2-7-13(10)16-12-6-3-5-11(15)8-12/h1-2,4,7,11-12H,3,5-6,8,15H2.
What are the key properties of 2-(3-aminocyclohexyl)oxybenzonitrile?
2-(3-aminocyclohexyl)oxybenzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)oxybenzonitrile is sourced from PubChem (CID 79465738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).