3-propan-2-yl-1,3-oxazinane

C7H15NO — CID 12636113

IUPAC3-propan-2-yl-1,3-oxazinane
SMILESCC(C)N1CCCOC1
InChIInChI=1S/C7H15NO/c1-7(2)8-4-3-5-9-6-8/h7H,3-6H2,1-2H3
InChIKeyXKJQSDAVNKPAFQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.07
Rot. Bonds1

About 3-propan-2-yl-1,3-oxazinane

3-propan-2-yl-1,3-oxazinane (PubChem CID 12636113) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-propan-2-yl-1,3-oxazinane.

Molecular Properties

Compound Name3-propan-2-yl-1,3-oxazinane
PubChem CID12636113
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-propan-2-yl-1,3-oxazinane
SMILESCC(C)N1CCCOC1
InChIInChI=1S/C7H15NO/c1-7(2)8-4-3-5-9-6-8/h7H,3-6H2,1-2H3
InChIKeyXKJQSDAVNKPAFQ-UHFFFAOYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,3-oxazinane?
The IUPAC name of 3-propan-2-yl-1,3-oxazinane (CID 12636113) is 3-propan-2-yl-1,3-oxazinane.
What is the SMILES notation for 3-propan-2-yl-1,3-oxazinane?
The canonical SMILES for 3-propan-2-yl-1,3-oxazinane is CC(C)N1CCCOC1.
What is the InChIKey of 3-propan-2-yl-1,3-oxazinane?
The InChIKey is XKJQSDAVNKPAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)8-4-3-5-9-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,3-oxazinane?
3-propan-2-yl-1,3-oxazinane has a molecular weight of 129.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3-oxazinane is sourced from PubChem (CID 12636113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).