[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

C17H33N3O — CID 79916036

IUPAC[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCN3CCCCC3C2)C(C)(C)O1
InChIInChI=1S/C17H33N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-10-9-19-8-6-5-7-14(19)11-20/h14H,5-13,18H2,1-4H3
InChIKeyUAUCYICCEHTUPL-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.83
Rot. Bonds2

About [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (PubChem CID 79916036) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
PubChem CID79916036
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCN3CCCCC3C2)C(C)(C)O1
InChIInChI=1S/C17H33N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-10-9-19-8-6-5-7-14(19)11-20/h14H,5-13,18H2,1-4H3
InChIKeyUAUCYICCEHTUPL-UHFFFAOYSA-N
XLogP1.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine with MolForge

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Related Compounds

[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
CID 79937688
1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine
CID 79911235
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylcyclohexyl]methanamine
CID 79932848
[2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857129
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-methylpiperidin-4-yl]methanamine
CID 79932682
[2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857355
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcyclohexyl]methanamine
CID 79932333
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine
CID 82718925
2-(1-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929015
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopropyl]methanamine
CID 106661320
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcycloheptyl]methanamine
CID 79932335
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
CID 79917366

Frequently Asked Questions

What is the IUPAC name of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The IUPAC name of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (CID 79916036) is [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is CC1(C)CC(CN)(N2CCN3CCCCC3C2)C(C)(C)O1.
What is the InChIKey of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The InChIKey is UAUCYICCEHTUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-10-9-19-8-6-5-7-14(19)11-20/h14H,5-13,18H2,1-4H3.
What are the key properties of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine has a molecular weight of 295.47 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is sourced from PubChem (CID 79916036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).