2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine

C8H15NO — CID 162681543

IUPAC2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine
SMILESCC(C)CC1=NCCCO1
InChIInChI=1S/C8H15NO/c1-7(2)6-8-9-4-3-5-10-8/h7H,3-6H2,1-2H3
InChIKeyBLMLJIPIRKMSPL-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.85
Rot. Bonds2

About 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine

2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 162681543) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID162681543
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine
SMILESCC(C)CC1=NCCCO1
InChIInChI=1S/C8H15NO/c1-7(2)6-8-9-4-3-5-10-8/h7H,3-6H2,1-2H3
InChIKeyBLMLJIPIRKMSPL-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine
CID 175495301
2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
CID 169221826
2-decyl-5,6-dihydro-4H-1,3-oxazine
CID 169221818
2-docosyl-5,6-dihydro-4H-1,3-oxazine
CID 169221785
4,5,6,7-tetrahydro-1,3-oxazepin-2-ylmethanol
CID 91057913
2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine
CID 67107875
ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine
CID 91154236
2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine
CID 20538722
1-(4,5-dihydro-1,3-oxazol-2-yl)-N-methylmethanamine
CID 84647709
2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
CID 121482211
5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine
CID 169105660
N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523859

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine (CID 162681543) is 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine is CC(C)CC1=NCCCO1.
What is the InChIKey of 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is BLMLJIPIRKMSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)6-8-9-4-3-5-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine?
2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 141.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 162681543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).