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

C16H30N2 — CID 107420844

IUPAC3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CCCC1CN1CC2CCCCN2CC1C
InChIInChI=1S/C16H30N2/c1-13-6-5-7-15(13)11-18-12-16-8-3-4-9-17(16)10-14(18)2/h13-16H,3-12H2,1-2H3
InChIKeyMSEACAYZGLGURQ-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.98
Rot. Bonds2

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

3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 107420844) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID107420844
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1CCCC1CN1CC2CCCCN2CC1C
InChIInChI=1S/C16H30N2/c1-13-6-5-7-15(13)11-18-12-16-8-3-4-9-17(16)10-14(18)2/h13-16H,3-12H2,1-2H3
InChIKeyMSEACAYZGLGURQ-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol
CID 79924521
2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cycloheptan-1-ol
CID 79924878
N-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-amine
CID 79946088
3-methyl-2-[(3-methylpyrrolidin-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102776119
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclohexyl]methanamine
CID 79935142
3-methyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102819614
2-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926023
N-ethyl-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxolan-3-amine
CID 79934970
2-but-2-ynyl-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115647776
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine
CID 79920833
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113252406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 107420844) is 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1CCCC1CN1CC2CCCCN2CC1C.
What is the InChIKey of 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is MSEACAYZGLGURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13-6-5-7-15(13)11-18-12-16-8-3-4-9-17(16)10-14(18)2/h13-16H,3-12H2,1-2H3.
What are the key properties of 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 250.43 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 107420844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).