[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

C16H31N3O — CID 79937688

IUPAC[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCN3CCCC3C2)C(C)(C)O1
InChIInChI=1S/C16H31N3O/c1-14(2)11-16(12-17,15(3,4)20-14)19-9-8-18-7-5-6-13(18)10-19/h13H,5-12,17H2,1-4H3
InChIKeyRJIVPOORFYULEF-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.44
Rot. Bonds2

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

[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (PubChem CID 79937688) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
PubChem CID79937688
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1(C)CC(CN)(N2CCN3CCCC3C2)C(C)(C)O1
InChIInChI=1S/C16H31N3O/c1-14(2)11-16(12-17,15(3,4)20-14)19-9-8-18-7-5-6-13(18)10-19/h13H,5-12,17H2,1-4H3
InChIKeyRJIVPOORFYULEF-UHFFFAOYSA-N
XLogP1.44
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[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
[3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
CID 79927192
1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine
CID 79911235
[3-(2,6-dimethylmorpholin-4-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
CID 79928510
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopropyl]methanamine
CID 106661320
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclooctyl]methanamine
CID 79937680
[2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 79857129
[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)-3,3-dimethylcyclohexyl]methanamine
CID 79932848
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
CID 79941371
[3-(3-methoxy-3-methylpiperidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
CID 107391225
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-yloxan-4-yl]methanamine
CID 79938560

Frequently Asked Questions

What is the IUPAC name of [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The IUPAC name of [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) is [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is CC1(C)CC(CN)(N2CCN3CCCC3C2)C(C)(C)O1.
What is the InChIKey of [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The InChIKey is RJIVPOORFYULEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(2)11-16(12-17,15(3,4)20-14)19-9-8-18-7-5-6-13(18)10-19/h13H,5-12,17H2,1-4H3.
What are the key properties of [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine has a molecular weight of 281.44 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is sourced from PubChem (CID 79937688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).