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

C14H27N3O — CID 79931105

IUPAC[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine
SMILESCC1CN2CCCCC2CN1C1(CN)CCOC1
InChIInChI=1S/C14H27N3O/c1-12-8-16-6-3-2-4-13(16)9-17(12)14(10-15)5-7-18-11-14/h12-13H,2-11,15H2,1H3
InChIKeyYQDJIULUWCREMG-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.66
Rot. Bonds2

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

[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine (PubChem CID 79931105) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine
PubChem CID79931105
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine
SMILESCC1CN2CCCCC2CN1C1(CN)CCOC1
InChIInChI=1S/C14H27N3O/c1-12-8-16-6-3-2-4-13(16)9-17(12)14(10-15)5-7-18-11-14/h12-13H,2-11,15H2,1H3
InChIKeyYQDJIULUWCREMG-UHFFFAOYSA-N
XLogP0.66
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopropyl]methanamine
CID 106661319
[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]methanamine
CID 79941280
[4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
CID 79941138
[3,5-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
CID 79941063
[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
[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine
CID 104689369
[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,1-dioxothian-3-yl]methanamine
CID 79940771
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)oxan-4-yl]methanamine
CID 55166748
3-methyl-2-(1-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926405
[3-(3-methylpyrrolidin-1-yl)oxolan-3-yl]methanamine
CID 63335279
[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

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine (CID 79931105) is [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine is CC1CN2CCCCC2CN1C1(CN)CCOC1.
What is the InChIKey of [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine?
The InChIKey is YQDJIULUWCREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-8-16-6-3-2-4-13(16)9-17(12)14(10-15)5-7-18-11-14/h12-13H,2-11,15H2,1H3.
What are the key properties of [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine?
[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine has a molecular weight of 253.39 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 79931105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).