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

C16H31N3O — CID 79925190

IUPAC[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine
SMILESCC1CN2CCCCC2CN1CC1(CN)CCOCC1
InChIInChI=1S/C16H31N3O/c1-14-10-18-7-3-2-4-15(18)11-19(14)13-16(12-17)5-8-20-9-6-16/h14-15H,2-13,17H2,1H3
InChIKeyAIKPYFILWVHGOB-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.30
Rot. Bonds3

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

[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine (PubChem CID 79925190) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine
PubChem CID79925190
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine
SMILESCC1CN2CCCCC2CN1CC1(CN)CCOCC1
InChIInChI=1S/C16H31N3O/c1-14-10-18-7-3-2-4-15(18)11-19(14)13-16(12-17)5-8-20-9-6-16/h14-15H,2-13,17H2,1H3
InChIKeyAIKPYFILWVHGOB-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanol
CID 79924665
2-[[1-(bromomethyl)cyclobutyl]methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935200
[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62390573
N-[[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 79946020
N-methyl-1-[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-3-yl]methanamine
CID 79917830
2-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943596
[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine
CID 79931105
N-[[1-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79916334
3-methyl-2-[(2-methylpyrrolidin-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935549
[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methanamine
CID 82749737
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclohexyl]methanamine
CID 79935142
2-[[4-(bromomethyl)oxan-4-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934939

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine (CID 79925190) is [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine is CC1CN2CCCCC2CN1CC1(CN)CCOCC1.
What is the InChIKey of [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine?
The InChIKey is AIKPYFILWVHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14-10-18-7-3-2-4-15(18)11-19(14)13-16(12-17)5-8-20-9-6-16/h14-15H,2-13,17H2,1H3.
What are the key properties of [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine?
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine has a molecular weight of 281.44 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanamine is sourced from PubChem (CID 79925190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).