3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C15H30N2 — CID 79926568

IUPAC3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC(C)C(C)N1CC2CCCCN2CC1C
InChIInChI=1S/C15H30N2/c1-5-12(2)14(4)17-11-15-8-6-7-9-16(15)10-13(17)3/h12-15H,5-11H2,1-4H3
InChIKeyOYMLJLLIFYYBFE-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.98
Rot. Bonds3

About 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79926568) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79926568
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC(C)C(C)N1CC2CCCCN2CC1C
InChIInChI=1S/C15H30N2/c1-5-12(2)14(4)17-11-15-8-6-7-9-16(15)10-13(17)3/h12-15H,5-11H2,1-4H3
InChIKeyOYMLJLLIFYYBFE-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylbutan-1-amine
CID 79945409
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
3-methyl-2-(2-methylpentan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939609
3-methyl-2-octan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926950
N-ethyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79924535
3-methyl-2-(4,4,4-trifluorobutan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114129891
4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79931477
N-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-amine
CID 79945896
tert-butyl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
CID 78998267
2-(dicyclopropylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939998
2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918526
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79925513

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79926568) is 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC(C)C(C)N1CC2CCCCN2CC1C.
What is the InChIKey of 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is OYMLJLLIFYYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-12(2)14(4)17-11-15-8-6-7-9-16(15)10-13(17)3/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 238.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylpentan-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79926568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).