2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine

C16H23NO — CID 66178960

IUPAC2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine
SMILESCC(C)CC1(C)CNC2Cc3ccccc3C2O1
InChIInChI=1S/C16H23NO/c1-11(2)9-16(3)10-17-14-8-12-6-4-5-7-13(12)15(14)18-16/h4-7,11,14-15,17H,8-10H2,1-3H3
InChIKeyCTOLMAIGRYTRQH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.08
Rot. Bonds2

About 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine

2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine (PubChem CID 66178960) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine.

Molecular Properties

Compound Name2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine
PubChem CID66178960
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine
SMILESCC(C)CC1(C)CNC2Cc3ccccc3C2O1
InChIInChI=1S/C16H23NO/c1-11(2)9-16(3)10-17-14-8-12-6-4-5-7-13(12)15(14)18-16/h4-7,11,14-15,17H,8-10H2,1-3H3
InChIKeyCTOLMAIGRYTRQH-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine with MolForge

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Related Compounds

2-methyl-2-(2-methylpropyl)-3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 66179944
3-ethyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazine
CID 43174689
(2S)-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-4,4-dimethylpyrrolidine
CID 122456791
2-methyl-6-(1-methylbenzimidazol-2-yl)-2-(2-methylpropyl)morpholine
CID 66178753
2-methyl-6-(5-methylfuran-2-yl)-2-(2-methylpropyl)morpholine
CID 66180133
spiro[3,4,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-2,1'-cyclopentane]
CID 65102288
(3aR,8bS)-2-methyl-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3,2]oxazaborole
CID 11355770
6-ethyl-2-methyl-2-(2-methylpropyl)morpholine
CID 65122203
6-(3,4-difluorophenyl)-2-methyl-2-(2-methylpropyl)morpholine
CID 66179735
(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
CID 89389775
2-methyl-2-(2-methylpropyl)-6-(2,4,6-trimethylphenyl)morpholine
CID 66178760
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-4,4-difluoropyrrolidine
CID 122456819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine?
The IUPAC name of 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine (CID 66178960) is 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine.
What is the SMILES notation for 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine?
The canonical SMILES for 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine is CC(C)CC1(C)CNC2Cc3ccccc3C2O1.
What is the InChIKey of 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine?
The InChIKey is CTOLMAIGRYTRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)9-16(3)10-17-14-8-12-6-4-5-7-13(12)15(14)18-16/h4-7,11,14-15,17H,8-10H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine?
2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine has a molecular weight of 245.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylpropyl)-4,4a,5,9b-tetrahydro-3H-indeno[1,2-b][1,4]oxazine is sourced from PubChem (CID 66178960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).