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

C16H31N3O2 — CID 79915866

IUPACmethyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
SMILESCCNC(C)(CN1CC2CCCCN2CC1C)C(=O)OC
InChIInChI=1S/C16H31N3O2/c1-5-17-16(3,15(20)21-4)12-19-11-14-8-6-7-9-18(14)10-13(19)2/h13-14,17H,5-12H2,1-4H3
InChIKeyJYFCSFXLWLBFLQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds5

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

methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate (PubChem CID 79915866) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
PubChem CID79915866
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Namemethyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
SMILESCCNC(C)(CN1CC2CCCCN2CC1C)C(=O)OC
InChIInChI=1S/C16H31N3O2/c1-5-17-16(3,15(20)21-4)12-19-11-14-8-6-7-9-18(14)10-13(19)2/h13-14,17H,5-12H2,1-4H3
InChIKeyJYFCSFXLWLBFLQ-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,2-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 79938716
N-ethyl-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79943170
2-methyl-2-(methylamino)-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanamide
CID 79935496
2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propylamino)propanamide
CID 79943230
2-(ethylamino)-2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
CID 79931921
2-(ethylamino)-2-methyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one
CID 79930660
2-(ethylamino)-2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 79937063
2-(2-methoxy-2-methylpropyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104567408
1-amino-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 79924930
N,2-dimethyl-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]butan-1-amine
CID 79924593
ethyl 3-(2,4-dimethylpiperazin-1-yl)-2-(ethylamino)-2-methylpropanoate
CID 114087381
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79917568

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate (CID 79915866) is methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate is CCNC(C)(CN1CC2CCCCN2CC1C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate?
The InChIKey is JYFCSFXLWLBFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-17-16(3,15(20)21-4)12-19-11-14-8-6-7-9-18(14)10-13(19)2/h13-14,17H,5-12H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate?
methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate has a molecular weight of 297.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate is sourced from PubChem (CID 79915866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).