5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

C36H71N9O — CID 158164723

IUPAC5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESCC1CN2CCC1CC2.CN1CC2CC1CN2.CN1CC2CNCC(C1)O2.CN1CC2CNCC(C2)C1.CN1CC2CNCC2C1
InChIInChI=1S/C8H16N2.C8H15N.C7H14N2O.C7H14N2.C6H12N2/c1-10-5-7-2-8(6-10)4-9-3-7;1-7-6-9-4-2-8(7)3-5-9;1-9-4-6-2-8-3-7(5-9)10-6;1-9-4-6-2-8-3-7(6)5-9;1-8-4-5-2-6(8)3-7-5/h7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-8H,2-5H2,1H3;6-8H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyFWRWMKKHBGCXPO-UHFFFAOYSA-N
MW646.03 g/mol
LogP0.22
Rot. Bonds

About 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 158164723) has the molecular formula C36H71N9O and a molecular weight of 646.03 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
PubChem CID158164723
Molecular FormulaC36H71N9O
Molecular Weight646.03 g/mol
Exact Mass645.58
IUPAC Name5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
SMILESCC1CN2CCC1CC2.CN1CC2CC1CN2.CN1CC2CNCC(C1)O2.CN1CC2CNCC(C2)C1.CN1CC2CNCC2C1
InChIInChI=1S/C8H16N2.C8H15N.C7H14N2O.C7H14N2.C6H12N2/c1-10-5-7-2-8(6-10)4-9-3-7;1-7-6-9-4-2-8(7)3-5-9;1-9-4-6-2-8-3-7(5-9)10-6;1-9-4-6-2-8-3-7(6)5-9;1-8-4-5-2-6(8)3-7-5/h7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-8H,2-5H2,1H3;6-8H,2-5H2,1H3;5-7H,2-4H2,1H3
InChIKeyFWRWMKKHBGCXPO-UHFFFAOYSA-N
XLogP0.22
TPSA73.55 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.03
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane with MolForge

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Related Compounds

1,5-Di(propan-2-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole;2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2,8-di(propan-2-yl)-2,8-diazaspiro[4.5]decane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane;2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;4,9-di(propan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;ethane
CID 157154232
methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;N-methyl-1-(4-methylmorpholin-2-yl)methanamine;N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 157436698
1,2,3,3a,4,5,6,6a-Octahydropyrrolo[3,2-b]pyrrole;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,5-diazocane;methane;piperazine;4-(3-piperidin-4-ylpropyl)piperidine;1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 164044567
1,2-dimethylpiperazine;3-ethyl-1-methylpyrrolidine;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;6-methyl-3,6-diazabicyclo[3.1.1]heptane;3-methyl-3,9-diazabicyclo[3.3.1]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;1-methyl-1,4-diazepane;7-methyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane;1-methylpiperazine;1,2,3-trimethylpiperazine
CID 167642102

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane (CID 158164723) is 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane is CC1CN2CCC1CC2.CN1CC2CC1CN2.CN1CC2CNCC(C1)O2.CN1CC2CNCC(C2)C1.CN1CC2CNCC2C1.
What is the InChIKey of 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is FWRWMKKHBGCXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C8H15N.C7H14N2O.C7H14N2.C6H12N2/c1-10-5-7-2-8(6-10)4-9-3-7;1-7-6-9-4-2-8(7)3-5-9;1-9-4-6-2-8-3-7(5-9)10-6;1-9-4-6-2-8-3-7(6)5-9;1-8-4-5-2-6(8)3-7-5/h7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-8H,2-5H2,1H3;6-8H,2-5H2,1H3;5-7H,2-4H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane?
5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 646.03 g/mol, XLogP of 0.22, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,7-diazabicyclo[3.3.1]nonane;3-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 158164723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).