2,3,6-trimethyloxazinane

C7H15NO — CID 134995456

IUPAC2,3,6-trimethyloxazinane
SMILESCC1CCC(C)N(C)O1
InChIInChI=1S/C7H15NO/c1-6-4-5-7(2)9-8(6)3/h6-7H,4-5H2,1-3H3
InChIKeyBGSSASWDBRQUBN-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.42
Rot. Bonds

About 2,3,6-trimethyloxazinane

2,3,6-trimethyloxazinane (PubChem CID 134995456) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,3,6-trimethyloxazinane.

Molecular Properties

Compound Name2,3,6-trimethyloxazinane
PubChem CID134995456
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,3,6-trimethyloxazinane
SMILESCC1CCC(C)N(C)O1
InChIInChI=1S/C7H15NO/c1-6-4-5-7(2)9-8(6)3/h6-7H,4-5H2,1-3H3
InChIKeyBGSSASWDBRQUBN-UHFFFAOYSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2,6-tetramethyloxazinan-3-amine
CID 163705080
(2S)-2,5-dimethyloxolane
CID 118613003
1-iodo-2,5-dimethylpyrrolidine
CID 121369942
1,5-dimethylpyrrolidine-2-thione
CID 72552176
CID 59968605
CID 59968605
(2R,6S)-4-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine
CID 129360659
2-tert-butyl-5-methyl-1,2-oxazolidine
CID 134335928
(2S,6S)-4-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2,6-dimethylmorpholine
CID 98105066
(2,5-dimethylpyrrolidin-1-yl)phosphane
CID 143476890
3,7,10-Trimethylsilatrane, d
CID 6327713
(7R)-3,4,7-trimethyl-1,4-oxazepane
CID 174071951
(2R,7S)-1,2,7-trimethylazepane
CID 142119830

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyloxazinane?
The IUPAC name of 2,3,6-trimethyloxazinane (CID 134995456) is 2,3,6-trimethyloxazinane.
What is the SMILES notation for 2,3,6-trimethyloxazinane?
The canonical SMILES for 2,3,6-trimethyloxazinane is CC1CCC(C)N(C)O1.
What is the InChIKey of 2,3,6-trimethyloxazinane?
The InChIKey is BGSSASWDBRQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-5-7(2)9-8(6)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3,6-trimethyloxazinane?
2,3,6-trimethyloxazinane has a molecular weight of 129.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyloxazinane is sourced from PubChem (CID 134995456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).