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

C10H19NO — CID 65101979

IUPAC2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1(C)CNC2CCCCC2O1
InChIInChI=1S/C10H19NO/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h8-9,11H,3-7H2,1-2H3
InChIKeyBARKWXGPYCXAAX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds

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

2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 65101979) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID65101979
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1(C)CNC2CCCCC2O1
InChIInChI=1S/C10H19NO/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h8-9,11H,3-7H2,1-2H3
InChIKeyBARKWXGPYCXAAX-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydropyrano[3,2-b]pyridine
CID 117045688
2-cyclopentyl-5,5-dimethyl-1,3-oxazolidine
CID 117229147
3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 43366931
2,2-dimethyl-6-(2-methylcyclohexyl)morpholine
CID 164662745
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
(4aS,7aS)-3,3-dimethyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 66800001
2-ethyl-2-methyl-4,4a,5,7,8,8a-hexahydro-3H-pyrano[4,3-b][1,4]oxazine
CID 65102215
(2S,3S,4aS,8aS)-2,3-dimethyl-2,3-bis(prop-2-enyl)-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]dioxine
CID 11322682
(4aR,8aS)-3,3-dimethyl-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoline;sulfane
CID 159381950
(4aR,7aS)-3,3-dimethyl-4,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 51863688
(4S,4aR,8aR)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 13328681
2-cyclopentyl-4,4-dimethylpyrrolidine
CID 138485504

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 65101979) is 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CC1(C)CNC2CCCCC2O1.
What is the InChIKey of 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is BARKWXGPYCXAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 65101979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).