(9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine

C9H18N2O — CID 143189502

IUPAC(9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine
SMILESCN1CCN2CCOC[C@@]2(C)C1
InChIInChI=1S/C9H18N2O/c1-9-7-10(2)3-4-11(9)5-6-12-8-9/h3-8H2,1-2H3/t9-/m1/s1
InChIKeyQBRZAEKXVAQAKW-SECBINFHSA-N
MW170.26 g/mol
LogP0.02
Rot. Bonds

About (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine

(9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine (PubChem CID 143189502) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine
PubChem CID143189502
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine
SMILESCN1CCN2CCOC[C@@]2(C)C1
InChIInChI=1S/C9H18N2O/c1-9-7-10(2)3-4-11(9)5-6-12-8-9/h3-8H2,1-2H3/t9-/m1/s1
InChIKeyQBRZAEKXVAQAKW-SECBINFHSA-N
XLogP0.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine with MolForge

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Related Compounds

9a-methyl-1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazine;ethane
CID 170624050
ethane;7-methyl-2-oxa-7-azaspiro[4.4]nonane
CID 144770357
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
2,7-dimethyl-2,7-diazaspiro[3.4]octane;2-methyl-6-oxa-2-azaspiro[3.4]octane
CID 166170976
8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one
CID 165353714
1-methyl-4-(1-methylcycloheptyl)piperazine
CID 71065653
2-(1,3,4,6,7,9-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-9a-yl)propane-2-thiol
CID 170139386
1,2,4-trimethyl-2-(oxan-4-yl)piperazine
CID 116856567
4-[2-iodo-6-(4,6,6-trimethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-6,6-dimethyl-1,4-oxazepane
CID 163742135
(4S)-7-methyl-1-oxa-7-azaspiro[3.4]octane
CID 177187480
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133

Frequently Asked Questions

What is the IUPAC name of (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine (CID 143189502) is (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine is CN1CCN2CCOC[C@@]2(C)C1.
What is the InChIKey of (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine?
The InChIKey is QBRZAEKXVAQAKW-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9-7-10(2)3-4-11(9)5-6-12-8-9/h3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine?
(9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine has a molecular weight of 170.26 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8,9a-dimethyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 143189502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).