2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile

C15H26N2O — CID 63907964

IUPAC2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile
SMILESCCC1CCCCC1OCC(C#N)(NC)C1CC1
InChIInChI=1S/C15H26N2O/c1-3-12-6-4-5-7-14(12)18-11-15(10-16,17-2)13-8-9-13/h12-14,17H,3-9,11H2,1-2H3
InChIKeyRJLSOSZAVGMVED-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.86
Rot. Bonds6

About 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile

2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile (PubChem CID 63907964) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile
PubChem CID63907964
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile
SMILESCCC1CCCCC1OCC(C#N)(NC)C1CC1
InChIInChI=1S/C15H26N2O/c1-3-12-6-4-5-7-14(12)18-11-15(10-16,17-2)13-8-9-13/h12-14,17H,3-9,11H2,1-2H3
InChIKeyRJLSOSZAVGMVED-UHFFFAOYSA-N
XLogP2.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile (CID 63907964) is 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile is CCC1CCCCC1OCC(C#N)(NC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile?
The InChIKey is RJLSOSZAVGMVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-12-6-4-5-7-14(12)18-11-15(10-16,17-2)13-8-9-13/h12-14,17H,3-9,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile?
2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile has a molecular weight of 250.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-ethylcyclohexyl)oxy-2-(methylamino)propanenitrile is sourced from PubChem (CID 63907964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).