2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C13H24N2 — CID 107094604

IUPAC2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1(CN2CCN3CCCC3C2)CCC1
InChIInChI=1S/C13H24N2/c1-13(5-3-6-13)11-14-8-9-15-7-2-4-12(15)10-14/h12H,2-11H2,1H3
InChIKeyBGFJNIJKKVKWHU-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.96
Rot. Bonds2

About 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 107094604) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID107094604
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1(CN2CCN3CCCC3C2)CCC1
InChIInChI=1S/C13H24N2/c1-13(5-3-6-13)11-14-8-9-15-7-2-4-12(15)10-14/h12H,2-11H2,1H3
InChIKeyBGFJNIJKKVKWHU-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-methylcyclopentyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939110
2-[(3-methylpiperidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943261
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-amine
CID 79943257
2-[(1-ethylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114124886
2-[(2-methylpyrrolidin-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934869
methyl 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclobutane-1-carboxylate
CID 116999394
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclopropane-1-carboxylic acid
CID 116999387
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclopropyl]methanamine
CID 115453849
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylmethanamine
CID 116999372
1-[(1-methylcyclobutyl)methyl]piperidine-3-carbaldehyde
CID 130601547
2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934958

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 107094604) is 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC1(CN2CCN3CCCC3C2)CCC1.
What is the InChIKey of 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is BGFJNIJKKVKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(5-3-6-13)11-14-8-9-15-7-2-4-12(15)10-14/h12H,2-11H2,1H3.
What are the key properties of 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 208.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 107094604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).