1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine

C14H29N3O — CID 107505868

IUPAC1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CN1CCN2CCCCC2C1
InChIInChI=1S/C14H29N3O/c1-3-15-13(12-18-2)10-16-8-9-17-7-5-4-6-14(17)11-16/h13-15H,3-12H2,1-2H3
InChIKeyFGDJHESYXLWFDD-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds6

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

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine (PubChem CID 107505868) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine
PubChem CID107505868
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CN1CCN2CCCCC2C1
InChIInChI=1S/C14H29N3O/c1-3-15-13(12-18-2)10-16-8-9-17-7-5-4-6-14(17)11-16/h13-15H,3-12H2,1-2H3
InChIKeyFGDJHESYXLWFDD-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505877
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethylpentan-2-amine
CID 79938837
1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
CID 107505660
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)butan-1-ol
CID 79924497
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-cyclopropyl-N-ethylethanamine
CID 79932111
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415
2-(ethylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64791906
N-ethyl-1-methoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-amine
CID 107505935
1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505746
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)propanoic acid
CID 79935238
N-ethyl-1-methoxy-3-(4-methylpiperidin-1-yl)propan-2-amine
CID 107505226

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine (CID 107505868) is 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)CN1CCN2CCCCC2C1.
What is the InChIKey of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is FGDJHESYXLWFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-15-13(12-18-2)10-16-8-9-17-7-5-4-6-14(17)11-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine?
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107505868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).