3-methyl-2-propyl-1,3-oxazinane

C8H17NO — CID 162270276

IUPAC3-methyl-2-propyl-1,3-oxazinane
SMILESCCCC1OCCCN1C
InChIInChI=1S/C8H17NO/c1-3-5-8-9(2)6-4-7-10-8/h8H,3-7H2,1-2H3
InChIKeyBYDKDFWAIKGALJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.46
Rot. Bonds2

About 3-methyl-2-propyl-1,3-oxazinane

3-methyl-2-propyl-1,3-oxazinane (PubChem CID 162270276) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methyl-2-propyl-1,3-oxazinane.

Molecular Properties

Compound Name3-methyl-2-propyl-1,3-oxazinane
PubChem CID162270276
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methyl-2-propyl-1,3-oxazinane
SMILESCCCC1OCCCN1C
InChIInChI=1S/C8H17NO/c1-3-5-8-9(2)6-4-7-10-8/h8H,3-7H2,1-2H3
InChIKeyBYDKDFWAIKGALJ-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-1,3-oxazinane?
The IUPAC name of 3-methyl-2-propyl-1,3-oxazinane (CID 162270276) is 3-methyl-2-propyl-1,3-oxazinane.
What is the SMILES notation for 3-methyl-2-propyl-1,3-oxazinane?
The canonical SMILES for 3-methyl-2-propyl-1,3-oxazinane is CCCC1OCCCN1C.
What is the InChIKey of 3-methyl-2-propyl-1,3-oxazinane?
The InChIKey is BYDKDFWAIKGALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8-9(2)6-4-7-10-8/h8H,3-7H2,1-2H3.
What are the key properties of 3-methyl-2-propyl-1,3-oxazinane?
3-methyl-2-propyl-1,3-oxazinane has a molecular weight of 143.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-1,3-oxazinane is sourced from PubChem (CID 162270276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).