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

C14H28N2O2 — CID 79943736

IUPAC2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCOC(CCN1CCN2CCCC2C1)OCC
InChIInChI=1S/C14H28N2O2/c1-3-17-14(18-4-2)7-9-15-10-11-16-8-5-6-13(16)12-15/h13-14H,3-12H2,1-2H3
InChIKeyHSBTYPCZMVFGHJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.56
Rot. Bonds7

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

2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79943736) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79943736
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCOC(CCN1CCN2CCCC2C1)OCC
InChIInChI=1S/C14H28N2O2/c1-3-17-14(18-4-2)7-9-15-10-11-16-8-5-6-13(16)12-15/h13-14H,3-12H2,1-2H3
InChIKeyHSBTYPCZMVFGHJ-UHFFFAOYSA-N
XLogP1.56
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934926
1-cyclopentyl-4-(3,3-diethoxypropyl)piperazine
CID 63629128
1-(3,3-diethoxypropyl)piperidin-3-ol
CID 63629790
1-(3,3-diethoxypropyl)piperidin-3-amine
CID 63628953
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxypropanoic acid
CID 79924761
2-(2-chloroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
CID 159084845
1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
CID 63619023
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropylethanol
CID 79943771
2-(2-ethoxy-2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114944355
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79943736) is 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCOC(CCN1CCN2CCCC2C1)OCC.
What is the InChIKey of 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is HSBTYPCZMVFGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-17-14(18-4-2)7-9-15-10-11-16-8-5-6-13(16)12-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 256.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79943736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).