4-[2-(methylamino)cyclohexyl]oxybenzonitrile

C14H18N2O — CID 102634794

IUPAC4-[2-(methylamino)cyclohexyl]oxybenzonitrile
SMILESCNC1CCCCC1Oc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h6-9,13-14,16H,2-5H2,1H3
InChIKeyBSUIWPFSQQMXAC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.47
Rot. Bonds3

About 4-[2-(methylamino)cyclohexyl]oxybenzonitrile

4-[2-(methylamino)cyclohexyl]oxybenzonitrile (PubChem CID 102634794) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-(methylamino)cyclohexyl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2-(methylamino)cyclohexyl]oxybenzonitrile
PubChem CID102634794
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[2-(methylamino)cyclohexyl]oxybenzonitrile
SMILESCNC1CCCCC1Oc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h6-9,13-14,16H,2-5H2,1H3
InChIKeyBSUIWPFSQQMXAC-UHFFFAOYSA-N
XLogP2.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)cyclohexyl]oxybenzonitrile?
The IUPAC name of 4-[2-(methylamino)cyclohexyl]oxybenzonitrile (CID 102634794) is 4-[2-(methylamino)cyclohexyl]oxybenzonitrile.
What is the SMILES notation for 4-[2-(methylamino)cyclohexyl]oxybenzonitrile?
The canonical SMILES for 4-[2-(methylamino)cyclohexyl]oxybenzonitrile is CNC1CCCCC1Oc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(methylamino)cyclohexyl]oxybenzonitrile?
The InChIKey is BSUIWPFSQQMXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h6-9,13-14,16H,2-5H2,1H3.
What are the key properties of 4-[2-(methylamino)cyclohexyl]oxybenzonitrile?
4-[2-(methylamino)cyclohexyl]oxybenzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)cyclohexyl]oxybenzonitrile is sourced from PubChem (CID 102634794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).