3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine

C15H30N2O — CID 140924784

IUPAC3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
SMILESCC(C)C1(C(C)(C)C)CN2CCN(C)CC2CO1
InChIInChI=1S/C15H30N2O/c1-12(2)15(14(3,4)5)11-17-8-7-16(6)9-13(17)10-18-15/h12-13H,7-11H2,1-6H3
InChIKeyMLIBOYDAYDGYFP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.07
Rot. Bonds1

About 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine

3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine (PubChem CID 140924784) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
PubChem CID140924784
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
SMILESCC(C)C1(C(C)(C)C)CN2CCN(C)CC2CO1
InChIInChI=1S/C15H30N2O/c1-12(2)15(14(3,4)5)11-17-8-7-16(6)9-13(17)10-18-15/h12-13H,7-11H2,1-6H3
InChIKeyMLIBOYDAYDGYFP-UHFFFAOYSA-N
XLogP2.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
lawrencium;7-methanidyl-7,9-dimethyl-3,4,6,8,10,10a-hexahydro-1H-[1,4]oxazino[4,3-a][1,4]diazepine
CID 153330669
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
2-fluoro-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 170582043
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
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ethane;1-methyl-4-(oxetan-3-yl)piperazine
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3,3-difluoro-1-(1-methylazetidin-3-yl)azetidine
CID 122608330
1-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-5-methylhexan-1-one
CID 95128221
(2S)-2,4-dimethyl-1-(2-methylpropyl)piperazine
CID 171515421
cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
CID 66602932
1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine
CID 119050260
2-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The IUPAC name of 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine (CID 140924784) is 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine is CC(C)C1(C(C)(C)C)CN2CCN(C)CC2CO1.
What is the InChIKey of 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The InChIKey is MLIBOYDAYDGYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)15(14(3,4)5)11-17-8-7-16(6)9-13(17)10-18-15/h12-13H,7-11H2,1-6H3.
What are the key properties of 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine has a molecular weight of 254.42 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methyl-3-propan-2-yl-1,4,6,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 140924784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).