ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C12H26N2O — CID 176568628

IUPACethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC.COCC1CCC2CN(C)CCN12
InChIInChI=1S/C10H20N2O.C2H6/c1-11-5-6-12-9(7-11)3-4-10(12)8-13-2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyDXKUIPABYAOKCN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds2

About ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 176568628) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Nameethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID176568628
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Nameethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC.COCC1CCC2CN(C)CCN12
InChIInChI=1S/C10H20N2O.C2H6/c1-11-5-6-12-9(7-11)3-4-10(12)8-13-2;1-2/h9-10H,3-8H2,1-2H3;1-2H3
InChIKeyDXKUIPABYAOKCN-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8aS)-5-methoxy-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 134894766
1-ethyl-2-(methoxymethyl)-3-N,3-N,5-N,5-N-tetramethylpiperidine-3,5-diamine
CID 20705139
3,5-dimethyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 57821165
[(6R,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
CID 58812324
(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl)methanol
CID 58812332
[(6S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-yl]methanol
CID 58812349
1H-Pyrrolo[2,1-c][1,4]oxazine,hexahydro-4-methyl-,(4S,8aS)-(9CI)
CID 75089140
8-(1-Propan-2-ylazetidin-3-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 124118955
N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
CID 134603165
2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 134605487
N-ethyl-2-[2-(methoxymethyl)-5-methylpyrrolidin-1-yl]-N-methylpropan-1-amine
CID 134606140
7-[(2S)-hexan-2-yl]-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
CID 139365222

Frequently Asked Questions

What is the IUPAC name of ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 176568628) is ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC.COCC1CCC2CN(C)CCN12.
What is the InChIKey of ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is DXKUIPABYAOKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6/c1-11-5-6-12-9(7-11)3-4-10(12)8-13-2;1-2/h9-10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(methoxymethyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 176568628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).