ethane;2-methyl-1,3-oxazinane

C7H17NO — CID 142204498

IUPACethane;2-methyl-1,3-oxazinane
SMILESCC.CC1NCCCO1
InChIInChI=1S/C5H11NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyKDRNIQHERFHNEJ-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.37
Rot. Bonds

About ethane;2-methyl-1,3-oxazinane

ethane;2-methyl-1,3-oxazinane (PubChem CID 142204498) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is ethane;2-methyl-1,3-oxazinane.

Molecular Properties

Compound Nameethane;2-methyl-1,3-oxazinane
PubChem CID142204498
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Nameethane;2-methyl-1,3-oxazinane
SMILESCC.CC1NCCCO1
InChIInChI=1S/C5H11NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyKDRNIQHERFHNEJ-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-1,4-oxazepane
CID 55298772
7-methyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 43498454
2-(2-methylpropyl)-1,3-oxazinane
CID 14342983
2-methyl-1,4-oxazepane;hydrochloride
CID 66718521
1,3-oxazinane-2-carbaldehyde
CID 174640966
(2S)-1,3-oxazinane-2-carboxylic acid
CID 142515360
2-tert-butyl-1,3-oxazepane
CID 154614408
2-(4-chlorophenyl)-3-methyl-1,4-oxazepane
CID 43498435
(4aR,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydropyrano[2,3-b]pyridine
CID 177422774
ethane;2,3,3-trimethyloxane
CID 142059544
3,3-difluoro-2-methyloxane
CID 146204349
3-chloro-1,4-oxazepane
CID 90165032

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-oxazinane?
The IUPAC name of ethane;2-methyl-1,3-oxazinane (CID 142204498) is ethane;2-methyl-1,3-oxazinane.
What is the SMILES notation for ethane;2-methyl-1,3-oxazinane?
The canonical SMILES for ethane;2-methyl-1,3-oxazinane is CC.CC1NCCCO1.
What is the InChIKey of ethane;2-methyl-1,3-oxazinane?
The InChIKey is KDRNIQHERFHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6/c1-5-6-3-2-4-7-5;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,3-oxazinane?
ethane;2-methyl-1,3-oxazinane has a molecular weight of 131.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-oxazinane is sourced from PubChem (CID 142204498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).