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

C14H27N3O — CID 82718925

IUPAC[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CCN2CCCCC2C1
InChIInChI=1S/C14H27N3O/c1-12-14(11-15,5-9-18-12)17-8-7-16-6-3-2-4-13(16)10-17/h12-13H,2-11,15H2,1H3
InChIKeyCKZIBJDLFMPAIF-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.66
Rot. Bonds2

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

[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine (PubChem CID 82718925) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine
PubChem CID82718925
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CCN2CCCCC2C1
InChIInChI=1S/C14H27N3O/c1-12-14(11-15,5-9-18-12)17-8-7-16-6-3-2-4-13(16)10-17/h12-13H,2-11,15H2,1H3
InChIKeyCKZIBJDLFMPAIF-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

2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114095516
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952514
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcyclohexyl]methanamine
CID 79932333
[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)-2-methylsulfonylcyclopentyl]methanamine
CID 79917984
(2-methyl-3-morpholin-4-yloxolan-3-yl)methanamine
CID 82719374
[3-(2,6-dimethylmorpholin-4-yl)-2-methyloxolan-3-yl]methanamine
CID 82717624
[2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine
CID 82717981
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-methylpiperidin-4-yl]methanamine
CID 79932682
[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
[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propyloxan-4-yl]methanamine
CID 79938479
[3-(4-ethylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82718747

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-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine (CID 82718925) is [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-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-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine is CC1OCCC1(CN)N1CCN2CCCCC2C1.
What is the InChIKey of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine?
The InChIKey is CKZIBJDLFMPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-14(11-15,5-9-18-12)17-8-7-16-6-3-2-4-13(16)10-17/h12-13H,2-11,15H2,1H3.
What are the key properties of [3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine?
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-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-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 82718925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).