2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine

C17H35N3 — CID 79930355

IUPAC2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CC2CCCCN2CC1C
InChIInChI=1S/C17H35N3/c1-14(2)8-9-17(4,13-18)20-12-16-7-5-6-10-19(16)11-15(20)3/h14-16H,5-13,18H2,1-4H3
InChIKeyGAYJJSFAEBALGR-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.70
Rot. Bonds5

About 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine

2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine (PubChem CID 79930355) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine
PubChem CID79930355
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CC2CCCCN2CC1C
InChIInChI=1S/C17H35N3/c1-14(2)8-9-17(4,13-18)20-12-16-7-5-6-10-19(16)11-15(20)3/h14-16H,5-13,18H2,1-4H3
InChIKeyGAYJJSFAEBALGR-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-trifluoro-2-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 116535380
3-methyl-2-(2-methylbutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931346
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
2-(methoxymethyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79941209
3-methyl-2-(2-methylbut-3-yn-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939266
3-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79925054
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,4-dimethylpentan-1-amine
CID 63150020
3,3,3-trifluoro-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]propan-1-amine
CID 103366403
1-amino-2-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-2-ol
CID 79937647
4-methyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-amine
CID 113440631
3-methyl-N'-(2-methylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 79935126
N,4,4-trimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-3-amine
CID 79925267

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine?
The IUPAC name of 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine (CID 79930355) is 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine?
The canonical SMILES for 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine is CC(C)CCC(C)(CN)N1CC2CCCCN2CC1C.
What is the InChIKey of 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine?
The InChIKey is GAYJJSFAEBALGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)8-9-17(4,13-18)20-12-16-7-5-6-10-19(16)11-15(20)3/h14-16H,5-13,18H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine?
2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-amine is sourced from PubChem (CID 79930355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).