2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C9H18N2 — CID 130644992

IUPAC2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1CN(C)CC2CCCN12
InChIInChI=1S/C9H18N2/c1-8-6-10(2)7-9-4-3-5-11(8)9/h8-9H,3-7H2,1-2H3
InChIKeyQKQBWTQBFICKPR-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds

About 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 130644992) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID130644992
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1CN(C)CC2CCCN12
InChIInChI=1S/C9H18N2/c1-8-6-10(2)7-9-4-3-5-11(8)9/h8-9H,3-7H2,1-2H3
InChIKeyQKQBWTQBFICKPR-UHFFFAOYSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 130820559
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 130708421
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
2,3-dimethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 79396539
1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
CID 166650515
1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
(9aS)-2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-ol
CID 167214378
3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one
CID 67986237
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 130644992) is 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC1CN(C)CC2CCCN12.
What is the InChIKey of 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is QKQBWTQBFICKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-6-10(2)7-9-4-3-5-11(8)9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 154.26 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 130644992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).