6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine

C17H30N2O2 — CID 90447091

IUPAC6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
SMILESC1NCC2CC(CC3CC[C@H]4OCNCC4C3)CCC2O1
InChIInChI=1S/C17H30N2O2/c1-3-16-14(8-18-10-20-16)6-12(1)5-13-2-4-17-15(7-13)9-19-11-21-17/h12-19H,1-11H2/t12?,13?,14?,15?,16-,17?/m1/s1
InChIKeyRMSIIKRPAUYEJY-OBYDGYHJSA-N
MW294.44 g/mol
LogP2.10
Rot. Bonds2

About 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine

6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine (PubChem CID 90447091) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine.

Molecular Properties

Compound Name6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
PubChem CID90447091
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
SMILESC1NCC2CC(CC3CC[C@H]4OCNCC4C3)CCC2O1
InChIInChI=1S/C17H30N2O2/c1-3-16-14(8-18-10-20-16)6-12(1)5-13-2-4-17-15(7-13)9-19-11-21-17/h12-19H,1-11H2/t12?,13?,14?,15?,16-,17?/m1/s1
InChIKeyRMSIIKRPAUYEJY-OBYDGYHJSA-N
XLogP2.10
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine with MolForge

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Related Compounds

6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4-dihydro-2H-1,3-benzoxazine
CID 90447094
4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane
CID 21344282
3-(cyclopropylmethyl)azetidine
CID 62314893
5-(2-cyclopropylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 130900561
2-[3-(cyclopentylmethyl)cyclobutyl]oxolane
CID 137483754
2-[4-[[4-[[4-(1,3-dioxan-2-yl)cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]-1,3-dioxane
CID 126610177
3-[(Z)-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane;3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane;3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
CID 160856686
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylmethyl)morpholine;ethane
CID 176921987
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole;hydrochloride
CID 66582615
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrol-2-yl]methanol
CID 127264235
1-(cyclobutylmethyl)-3-(2-methylcyclopropyl)cyclopentane
CID 163519251
2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane
CID 87706863

Frequently Asked Questions

What is the IUPAC name of 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine?
The IUPAC name of 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine (CID 90447091) is 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine.
What is the SMILES notation for 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine?
The canonical SMILES for 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine is C1NCC2CC(CC3CC[C@H]4OCNCC4C3)CCC2O1.
What is the InChIKey of 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine?
The InChIKey is RMSIIKRPAUYEJY-OBYDGYHJSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-16-14(8-18-10-20-16)6-12(1)5-13-2-4-17-15(7-13)9-19-11-21-17/h12-19H,1-11H2/t12?,13?,14?,15?,16-,17?/m1/s1.
What are the key properties of 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine?
6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine has a molecular weight of 294.44 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazin-6-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine is sourced from PubChem (CID 90447091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).