1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane

C14H28N2 — CID 145424394

IUPAC1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane
SMILESC1CC2CNCCN2C1.CC1CCCCC1
InChIInChI=1S/C7H14N2.C7H14/c1-2-7-6-8-3-5-9(7)4-1;1-7-5-3-2-4-6-7/h7-8H,1-6H2;7H,2-6H2,1H3
InChIKeyBSAKSCIGYMHVSY-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds

About 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane

1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane (PubChem CID 145424394) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane.

Molecular Properties

Compound Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane
PubChem CID145424394
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane
SMILESC1CC2CNCCN2C1.CC1CCCCC1
InChIInChI=1S/C7H14N2.C7H14/c1-2-7-6-8-3-5-9(7)4-1;1-7-5-3-2-4-6-7/h7-8H,1-6H2;7H,2-6H2,1H3
InChIKeyBSAKSCIGYMHVSY-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
CID 71607215
(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
CID 142143795
1,2,3,4,5,6,7,9,10,11,12,12a-dodecahydropyrido[1,2-a][1,4,7]triazonine;trihydrobromide
CID 22495462
(3S)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559639
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 89465508
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640
1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
CID 83670813
1-cycloheptylpiperazine;methane
CID 143122535
1-cyclopentylpiperazine;ethane
CID 143559542
3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine
CID 22562213

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane?
The IUPAC name of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane (CID 145424394) is 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane.
What is the SMILES notation for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane?
The canonical SMILES for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane is C1CC2CNCCN2C1.CC1CCCCC1.
What is the InChIKey of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane?
The InChIKey is BSAKSCIGYMHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C7H14/c1-2-7-6-8-3-5-9(7)4-1;1-7-5-3-2-4-6-7/h7-8H,1-6H2;7H,2-6H2,1H3.
What are the key properties of 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane?
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;methylcyclohexane is sourced from PubChem (CID 145424394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).