3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile

C15H20N2O — CID 107111770

IUPAC3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile
SMILESCNC1CCCCC1Oc1c(C)cccc1C#N
InChIInChI=1S/C15H20N2O/c1-11-6-5-7-12(10-16)15(11)18-14-9-4-3-8-13(14)17-2/h5-7,13-14,17H,3-4,8-9H2,1-2H3
InChIKeyHGWKSZACEJFNCH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.78
Rot. Bonds3

About 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile

3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile (PubChem CID 107111770) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile
PubChem CID107111770
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile
SMILESCNC1CCCCC1Oc1c(C)cccc1C#N
InChIInChI=1S/C15H20N2O/c1-11-6-5-7-12(10-16)15(11)18-14-9-4-3-8-13(14)17-2/h5-7,13-14,17H,3-4,8-9H2,1-2H3
InChIKeyHGWKSZACEJFNCH-UHFFFAOYSA-N
XLogP2.78
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile?
The IUPAC name of 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile (CID 107111770) is 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile.
What is the SMILES notation for 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile?
The canonical SMILES for 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile is CNC1CCCCC1Oc1c(C)cccc1C#N.
What is the InChIKey of 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile?
The InChIKey is HGWKSZACEJFNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-5-7-12(10-16)15(11)18-14-9-4-3-8-13(14)17-2/h5-7,13-14,17H,3-4,8-9H2,1-2H3.
What are the key properties of 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile?
3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(methylamino)cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 107111770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).