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3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile

C14H24N2O — CID 63905913

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COCC1CCCCC1)C1CC1
InChIInChI=1S/C14H24N2O/c1-16-14(10-15,13-7-8-13)11-17-9-12-5-3-2-4-6-12/h12-13,16H,2-9,11H2,1H3
InChIKeyXJNPGXOQDOBXJV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.48
Rot. Bonds6

About 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile

3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile (PubChem CID 63905913) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
PubChem CID63905913
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COCC1CCCCC1)C1CC1
InChIInChI=1S/C14H24N2O/c1-16-14(10-15,13-7-8-13)11-17-9-12-5-3-2-4-6-12/h12-13,16H,2-9,11H2,1H3
InChIKeyXJNPGXOQDOBXJV-UHFFFAOYSA-N
XLogP2.48
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile (CID 63905913) is 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile is CNC(C#N)(COCC1CCCCC1)C1CC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile?
The InChIKey is XJNPGXOQDOBXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-16-14(10-15,13-7-8-13)11-17-9-12-5-3-2-4-6-12/h12-13,16H,2-9,11H2,1H3.
What are the key properties of 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile?
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile has a molecular weight of 236.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63905913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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