3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C14H27NO — CID 62516849

IUPAC3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCCC1CCC2OCC(CC)(CC)NC2C1
InChIInChI=1S/C14H27NO/c1-4-11-7-8-13-12(9-11)15-14(5-2,6-3)10-16-13/h11-13,15H,4-10H2,1-3H3
InChIKeyNKMAWDJIHCZUAK-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds3

About 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 62516849) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID62516849
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCCC1CCC2OCC(CC)(CC)NC2C1
InChIInChI=1S/C14H27NO/c1-4-11-7-8-13-12(9-11)15-14(5-2,6-3)10-16-13/h11-13,15H,4-10H2,1-3H3
InChIKeyNKMAWDJIHCZUAK-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine with MolForge

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Related Compounds

6-ethyl-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 43174763
1,3-diethylcyclopentane
CID 530396
6-ethyl-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 55159045
5-ethylspiro[3a,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3,5'-cycloheptyne];propane
CID 144546761
CID 45052171
CID 45052171
3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine
CID 62519492
7-propyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 60916186
3-ethyl-3-methyl-4,4a,5,7,8,8a-hexahydro-2H-thiopyrano[4,3-b][1,4]oxazine 6,6-dioxide
CID 64551944
2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825575
7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 114287020
3-ethylcyclopentane-1-carbothioamide
CID 65413677
6-tert-butylspiro[2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-3,1'-cyclohexane]
CID 62521796

Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 62516849) is 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CCC1CCC2OCC(CC)(CC)NC2C1.
What is the InChIKey of 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is NKMAWDJIHCZUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-11-7-8-13-12(9-11)15-14(5-2,6-3)10-16-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 62516849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).