3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile

C10H18N2O — CID 15552027

IUPAC3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile
SMILESCC1CC(C)(C)NC(CCC#N)O1
InChIInChI=1S/C10H18N2O/c1-8-7-10(2,3)12-9(13-8)5-4-6-11/h8-9,12H,4-5,7H2,1-3H3
InChIKeyMJSPJCAFXITHJS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.79
Rot. Bonds2

About 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile

3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile (PubChem CID 15552027) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile
PubChem CID15552027
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile
SMILESCC1CC(C)(C)NC(CCC#N)O1
InChIInChI=1S/C10H18N2O/c1-8-7-10(2,3)12-9(13-8)5-4-6-11/h8-9,12H,4-5,7H2,1-3H3
InChIKeyMJSPJCAFXITHJS-UHFFFAOYSA-N
XLogP1.79
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile?
The IUPAC name of 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile (CID 15552027) is 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile.
What is the SMILES notation for 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile?
The canonical SMILES for 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile is CC1CC(C)(C)NC(CCC#N)O1.
What is the InChIKey of 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile?
The InChIKey is MJSPJCAFXITHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-7-10(2,3)12-9(13-8)5-4-6-11/h8-9,12H,4-5,7H2,1-3H3.
What are the key properties of 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile?
3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,6-trimethyl-1,3-oxazinan-2-yl)propanenitrile is sourced from PubChem (CID 15552027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).