3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine

C17H33N3O — CID 103060560

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN1CCN2CCCCC2C1
InChIInChI=1S/C17H33N3O/c1-2-7-18-17-6-11-21-14-15(17)12-19-9-10-20-8-4-3-5-16(20)13-19/h15-18H,2-14H2,1H3
InChIKeyFEBXYPPOYBGUIA-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.56
Rot. Bonds5

About 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine (PubChem CID 103060560) 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-ylmethyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine
PubChem CID103060560
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1CN1CCN2CCCCC2C1
InChIInChI=1S/C17H33N3O/c1-2-7-18-17-6-11-21-14-15(17)12-19-9-10-20-8-4-3-5-16(20)13-19/h15-18H,2-14H2,1H3
InChIKeyFEBXYPPOYBGUIA-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-ethyloxan-4-amine
CID 103060558
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 103060409
4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
CID 107408715
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614441
N-ethyl-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]oxan-4-amine
CID 103060481
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66246567
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
[4-[[4-(propylamino)oxan-3-yl]methyl]morpholin-3-yl]methanol
CID 103060941

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine (CID 103060560) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine is CCCNC1CCOCC1CN1CCN2CCCCC2C1.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine?
The InChIKey is FEBXYPPOYBGUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-2-7-18-17-6-11-21-14-15(17)12-19-9-10-20-8-4-3-5-16(20)13-19/h15-18H,2-14H2,1H3.
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine has a molecular weight of 295.47 g/mol, XLogP of 1.56, 5 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-ylmethyl)-N-propyloxan-4-amine is sourced from PubChem (CID 103060560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).