8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine

C14H27NO — CID 115824655

IUPAC8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC(C)CC1COC2C(CCCC2(C)C)N1
InChIInChI=1S/C14H27NO/c1-10(2)8-11-9-16-13-12(15-11)6-5-7-14(13,3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyOFDKAGZPRUHIKJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds2

About 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine

8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 115824655) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID115824655
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC(C)CC1COC2C(CCCC2(C)C)N1
InChIInChI=1S/C14H27NO/c1-10(2)8-11-9-16-13-12(15-11)6-5-7-14(13,3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyOFDKAGZPRUHIKJ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine with MolForge

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Related Compounds

3,8,8-trimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
CID 115824652
8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
CID 115824648
7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane
CID 146555370
2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine
CID 18720150
(4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene
CID 166130480
3-(2-methylpropyl)-2-propan-2-yl-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]oxazepine
CID 106364304
1,1-dimethyl-2-(2-methylpropyl)cyclobutane
CID 123767451
3-(2,2-dimethylcyclopentyl)-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83270664
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3,3-dimethyl-2-(2-methylpropyl)oxetane
CID 171398553
(2S)-9-tert-butyl-2-(2-methylpropyl)-4-oxa-1-azaspiro[5.5]undecane
CID 22689171

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine (CID 115824655) is 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine is CC(C)CC1COC2C(CCCC2(C)C)N1.
What is the InChIKey of 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is OFDKAGZPRUHIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)8-11-9-16-13-12(15-11)6-5-7-14(13,3)4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine?
8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 115824655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).