2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C14H28N2O2 — CID 176568407

IUPAC2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCN1CCN2C(COC(C)C)CCC2C1
InChIInChI=1S/C14H28N2O2/c1-12(2)18-11-14-5-4-13-10-15(8-9-17-3)6-7-16(13)14/h12-14H,4-11H2,1-3H3
InChIKeyKPKJMGSVMYEHSL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.21
Rot. Bonds6

About 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 176568407) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID176568407
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCN1CCN2C(COC(C)C)CCC2C1
InChIInChI=1S/C14H28N2O2/c1-12(2)18-11-14-5-4-13-10-15(8-9-17-3)6-7-16(13)14/h12-14H,4-11H2,1-3H3
InChIKeyKPKJMGSVMYEHSL-UHFFFAOYSA-N
XLogP1.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine 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

ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 176961318
(6S,8aS)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 177010102
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanol
CID 174389909
3-chloro-1-(2-methoxyethyl)piperidine
CID 63386779
3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 174183888
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
CID 146339853
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 80676052
(2S)-1-(2-fluoroethyl)-2-(propan-2-yloxymethyl)azetidine
CID 177126142

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 176568407) is 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is COCCN1CCN2C(COC(C)C)CCC2C1.
What is the InChIKey of 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is KPKJMGSVMYEHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)18-11-14-5-4-13-10-15(8-9-17-3)6-7-16(13)14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 256.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 176568407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).