5-butan-2-yl-3-methyl-1,3-oxazinane

C9H19NO — CID 129275819

IUPAC5-butan-2-yl-3-methyl-1,3-oxazinane
SMILESCCC(C)C1COCN(C)C1
InChIInChI=1S/C9H19NO/c1-4-8(2)9-5-10(3)7-11-6-9/h8-9H,4-7H2,1-3H3
InChIKeyZECOGFMDXDNGJS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.57
Rot. Bonds2

About 5-butan-2-yl-3-methyl-1,3-oxazinane

5-butan-2-yl-3-methyl-1,3-oxazinane (PubChem CID 129275819) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-butan-2-yl-3-methyl-1,3-oxazinane.

Molecular Properties

Compound Name5-butan-2-yl-3-methyl-1,3-oxazinane
PubChem CID129275819
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-butan-2-yl-3-methyl-1,3-oxazinane
SMILESCCC(C)C1COCN(C)C1
InChIInChI=1S/C9H19NO/c1-4-8(2)9-5-10(3)7-11-6-9/h8-9H,4-7H2,1-3H3
InChIKeyZECOGFMDXDNGJS-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methyl-1,3-oxazinane?
The IUPAC name of 5-butan-2-yl-3-methyl-1,3-oxazinane (CID 129275819) is 5-butan-2-yl-3-methyl-1,3-oxazinane.
What is the SMILES notation for 5-butan-2-yl-3-methyl-1,3-oxazinane?
The canonical SMILES for 5-butan-2-yl-3-methyl-1,3-oxazinane is CCC(C)C1COCN(C)C1.
What is the InChIKey of 5-butan-2-yl-3-methyl-1,3-oxazinane?
The InChIKey is ZECOGFMDXDNGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8(2)9-5-10(3)7-11-6-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-methyl-1,3-oxazinane?
5-butan-2-yl-3-methyl-1,3-oxazinane has a molecular weight of 157.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methyl-1,3-oxazinane is sourced from PubChem (CID 129275819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).