2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane

C11H23NO — CID 143755074

IUPAC2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane
SMILESCC.CCCCC1=NCC(C)CO1
InChIInChI=1S/C9H17NO.C2H6/c1-3-4-5-9-10-6-8(2)7-11-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyOCUYYRYFRWEPPD-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.27
Rot. Bonds3

About 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane

2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane (PubChem CID 143755074) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane.

Molecular Properties

Compound Name2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane
PubChem CID143755074
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane
SMILESCC.CCCCC1=NCC(C)CO1
InChIInChI=1S/C9H17NO.C2H6/c1-3-4-5-9-10-6-8(2)7-11-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyOCUYYRYFRWEPPD-UHFFFAOYSA-N
XLogP3.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2-butyl-5,6-dihydro-4H-1,3-oxazine
CID 10855556
4,4-Dimethyl-2-pentan-2-yl-5,6-dihydro-1,3-oxazine
CID 293656
2-pentyl-5,6-dihydro-4H-1,3-oxazine
CID 11789440
2-butan-2-yl-5,6-dihydro-4H-1,3-oxazine
CID 12868366
2-propan-2-yl-5,6-dihydro-4H-1,3-oxazine
CID 13776167
2-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine
CID 14875994
ethyl N-methylpentanimidate
CID 53840622
2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
CID 67107920
2,5-dimethyl-5,6-dihydro-4H-1,3-oxazine;ethane
CID 91385189
3-methyl-N-(oxan-4-yl)butan-2-imine
CID 123654655
2-methyl-N-(oxan-4-yl)propan-1-imine
CID 123980513
2-propan-2-yl-5,6,7,8-tetrahydro-4H-1,3-oxazocine
CID 138663952

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane?
The IUPAC name of 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane (CID 143755074) is 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane.
What is the SMILES notation for 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane?
The canonical SMILES for 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane is CC.CCCCC1=NCC(C)CO1.
What is the InChIKey of 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane?
The InChIKey is OCUYYRYFRWEPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-3-4-5-9-10-6-8(2)7-11-9;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane?
2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane has a molecular weight of 185.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-5,6-dihydro-4H-1,3-oxazine;ethane is sourced from PubChem (CID 143755074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).