2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine

C9H17NO — CID 169221788

IUPAC2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCC(C)C1=NCCCO1
InChIInChI=1S/C9H17NO/c1-3-5-8(2)9-10-6-4-7-11-9/h8H,3-7H2,1-2H3
InChIKeyPRXOHSQXGWTGBV-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.24
Rot. Bonds3

About 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine

2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 169221788) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine
PubChem CID169221788
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine
SMILESCCCC(C)C1=NCCCO1
InChIInChI=1S/C9H17NO/c1-3-5-8(2)9-10-6-4-7-11-9/h8H,3-7H2,1-2H3
InChIKeyPRXOHSQXGWTGBV-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-heptan-3-yl-5,6-dihydro-4H-1,3-oxazine
CID 14875994
2-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)butan-2-yl]-5,6-dihydro-4H-1,3-oxazine
CID 20036736
2-(3-Methylbutyl)-4,5-dihydro-1,3-oxazole
CID 20184955
2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)butyl]-5,6-dihydro-4H-1,3-oxazine
CID 67107920
3-methyl-N-(oxan-4-yl)butan-2-imine
CID 123654655
ethyl N,2,5-trimethylhexanimidate
CID 123887545
2-octan-2-yl-5,6-dihydro-4H-1,3-oxazine
CID 137510156
6-Ethoxy-3-methyl-2,3,4,5-tetrahydropyridine
CID 139353600

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine (CID 169221788) is 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine is CCCC(C)C1=NCCCO1.
What is the InChIKey of 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is PRXOHSQXGWTGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-8(2)9-10-6-4-7-11-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine?
2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 155.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 169221788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).