3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C10H20N2 — CID 71669028

IUPAC3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCC2CN1
InChIInChI=1S/C10H20N2/c1-8(2)10-7-12-5-3-4-9(12)6-11-10/h8-11H,3-7H2,1-2H3
InChIKeyYPMDREPFLIKFTB-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds1

About 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 71669028) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID71669028
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)C1CN2CCCC2CN1
InChIInChI=1S/C10H20N2/c1-8(2)10-7-12-5-3-4-9(12)6-11-10/h8-11H,3-7H2,1-2H3
InChIKeyYPMDREPFLIKFTB-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-octahydropyrrolo(1,2-a)piperazine
CID 18958803
Octahydropyrrolo(1,2-a)pyrazine
CID 558578
1-Methyloctahydropyrrolo(1,2-a)pyrazine
CID 44827712
N1-(2-Amino-4-methylpentyl)octahydro-pyrrolo(1,2-A) pyrimidine
CID 5289474
(6S)-1,4-Diazabicyclo(4.3.0)nonane
CID 781249
(4aS,7aS)-6-methyl-octahydro-1H-pyrrolo(3,4-b)pyridine
CID 1519490
(3S,8aS)-Octahydro-3-methyl-pyrrolo[1,2-a]pyrazine
CID 24903578
(8aS)-octahydropyrrolo[1,2-a]piperazine dihydrochloride
CID 43810632
(R)-octahydropyrrolo[1,2-a]pyrazine dihydrochloride
CID 44828674
1-methyl-octahydro-1H-pyrrolo(3,2-c)pyridine
CID 46176554
(3S,8aS)-3-Ethyloctahydro-pyrrolo(1,2-a)pyrazine
CID 54775527
4-methyl-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 59170708

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 71669028) is 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is CC(C)C1CN2CCCC2CN1.
What is the InChIKey of 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is YPMDREPFLIKFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)10-7-12-5-3-4-9(12)6-11-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 168.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 71669028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).