3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane

C9H18N2O2 — CID 6454623

IUPAC3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane
SMILESC1COCN(CN2CCCOC2)C1
InChIInChI=1S/C9H18N2O2/c1-3-10(8-12-5-1)7-11-4-2-6-13-9-11/h1-9H2
InChIKeyGJBKLYJVZOTRSP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.30
Rot. Bonds2

About 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane

3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane (PubChem CID 6454623) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane.

Molecular Properties

Compound Name3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane
PubChem CID6454623
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane
SMILESC1COCN(CN2CCCOC2)C1
InChIInChI=1S/C9H18N2O2/c1-3-10(8-12-5-1)7-11-4-2-6-13-9-11/h1-9H2
InChIKeyGJBKLYJVZOTRSP-UHFFFAOYSA-N
XLogP0.30
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-oxazinane;3-(1,3-oxazolidin-3-ylmethyl)-1,3-oxazolidine
CID 70615099
1,4-oxazepan-4-ylmethanethiol
CID 167082217
4-(morpholin-4-ylmethyl)morpholine
CID 21839
8-(2,2,2-trifluoroethyl)-1,4-dioxa-8-azacycloundecane
CID 139387201
3,12-bis(prop-2-ynyl)-1,6,9,15-tetraoxa-3,12-diazacyclooctadecane
CID 101268758
2-fluoro-1-[4-(1,4-oxazepan-4-ylmethyl)piperazin-1-yl]ethanone
CID 154703107
trifluoro(1,4-oxazepan-4-ylmethyl)boranuide
CID 63704107
3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane
CID 10334032
1,4-diazabicyclo[2.2.2]octane;oxolane
CID 141105414
3-(1,3-oxazinan-3-yl)propyl but-2-enoate
CID 69421354
3-(2-iodoethyl)-1,3-oxazolidine
CID 130271140
3-methoxy-1,3-oxazinane
CID 146666931

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane?
The IUPAC name of 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane (CID 6454623) is 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane.
What is the SMILES notation for 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane?
The canonical SMILES for 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane is C1COCN(CN2CCCOC2)C1.
What is the InChIKey of 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane?
The InChIKey is GJBKLYJVZOTRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-10(8-12-5-1)7-11-4-2-6-13-9-11/h1-9H2.
What are the key properties of 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane?
3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane has a molecular weight of 186.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazinan-3-ylmethyl)-1,3-oxazinane is sourced from PubChem (CID 6454623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).