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

C7H15NO — CID 91154236

IUPACethane;2-methyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC.CC1=NCCCO1
InChIInChI=1S/C5H9NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h2-4H2,1H3;1-2H3
InChIKeyTXOUHUWIPQHGQH-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.85
Rot. Bonds

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

ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine (PubChem CID 91154236) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Nameethane;2-methyl-5,6-dihydro-4H-1,3-oxazine
PubChem CID91154236
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameethane;2-methyl-5,6-dihydro-4H-1,3-oxazine
SMILESCC.CC1=NCCCO1
InChIInChI=1S/C5H9NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h2-4H2,1H3;1-2H3
InChIKeyTXOUHUWIPQHGQH-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine
CID 20538722
2-(trideuteriomethyl)-4,5-dihydro-1,3-oxazole
CID 101358673
2-[1-(5,6-dihydro-4H-1,3-oxazin-2-yl)propyl]-5,6-dihydro-4H-1,3-oxazine
CID 67107875
2-(2-methylpropyl)-5,6-dihydro-4H-1,3-oxazine
CID 162681543
2-(3-methylimidazol-4-yl)-5,6-dihydro-4H-1,3-oxazine
CID 58983131
2-(3-methylbutyl)-5,6-dihydro-4H-1,3-oxazine
CID 175495301
5,6-dihydro-4H-1,3-oxazin-2-yl(fluoro)methanamine
CID 169105660
2-docosyl-5,6-dihydro-4H-1,3-oxazine
CID 169221785
2-tetradecyl-5,6-dihydro-4H-1,3-oxazine
CID 169221826
2-decyl-5,6-dihydro-4H-1,3-oxazine
CID 169221818
N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 20523859
N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523776

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine (CID 91154236) is ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine is CC.CC1=NCCCO1.
What is the InChIKey of ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is TXOUHUWIPQHGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine?
ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 129.20 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 91154236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).