3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane

C131H269N29O2 — CID 158645987

About 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane

3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 158645987) has the molecular formula C131H269N29O2 and a molecular weight of 2282.79 g/mol. Its IUPAC name is 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

• Compound Name: 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane
• PubChem CID: 158645987
• Molecular Formula: C131H269N29O2
• Molecular Weight: 2282.79 g/mol
• Exact Mass: 2281.18
• IUPAC Name: 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane
• SMILES: C.CCC1CC2CCC(C1)N2C.CN1CC2(C)CN(C)CC(C)(C1)C2.CN1CC2CC1CN2.CN1CC2CC1CO2.CN1CC2CCC(C1)N2.CN1CC2CCC(C1)N2C.CN1CC2CCCCC2C1.CN1CC2CNCC2C1.CN1CCC2(CCCC2)C1.CN1CCCC1.CN1CCCCC1.CN1CCN2CCC1CC2.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCNCC1.CN1CCOCC1.CNC1CCCNC1.CNC1CCNC1
• InChI: InChI=1S/C11H22N2.C10H19N.C9H18N2.2C9H17N.3C8H16N2.2C7H14N2.C6H12N2.C6H14N2.C6H11NO.C6H13N.2C5H12N2.C5H11NO.C5H11N.CH4/c1-10-5-11(2,8-12(3)6-10)9-13(4)7-10;1-3-8-6-9-4-5-10(7-8)11(9)2;1-10-6-7-11-5-3-2-4-9(11)8-10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-9(8-10)4-2-3-5-9;1-9-5-7-3-4-8(6-9)10(7)2;1-9-6-7-10-4-2-8(9)3-5-10;1-9-5-6-10-4-2-3-8(10)7-9;1-9-4-6-2-8-3-7(6)5-9;1-9-4-6-2-3-7(5-9)8-6;1-8-4-5-2-6(8)3-7-5;1-7-6-3-2-4-8-5-6;1-7-3-6-2-5(7)4-8-6;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-5-2-3-7-4-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;/h5-9H2,1-4H3;8-10H,3-7H2,1-2H3;9H,2-8H2,1H3;8-9H,2-7H2,1H3;2-8H2,1H3;7-8H,3-6H2,1-2H3;2*8H,2-7H2,1H3;2*6-8H,2-5H2,1H3;5-7H,2-4H2,1H3;6-8H,2-5H2,1H3;5-6H,2-4H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;2-5H2,1H3;2-5H2,1H3;1H4
• InChIKey: IAYXMMAZAXQEOY-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 182.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 3
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2282.79
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane?

The IUPAC name of 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane (CID 158645987) is 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane.

What is the SMILES notation for 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane?

The canonical SMILES for 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane is C.CCC1CC2CCC(C1)N2C.CN1CC2(C)CN(C)CC(C)(C1)C2.CN1CC2CC1CN2.CN1CC2CC1CO2.CN1CC2CCC(C1)N2.CN1CC2CCC(C1)N2C.CN1CC2CCCCC2C1.CN1CC2CNCC2C1.CN1CCC2(CCCC2)C1.CN1CCCC1.CN1CCCCC1.CN1CCN2CCC1CC2.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCNCC1.CN1CCOCC1.CNC1CCCNC1.CNC1CCNC1.

What is the InChIKey of 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane?

The InChIKey is IAYXMMAZAXQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H19N.C9H18N2.2C9H17N.3C8H16N2.2C7H14N2.C6H12N2.C6H14N2.C6H11NO.C6H13N.2C5H12N2.C5H11NO.C5H11N.CH4/c1-10-5-11(2,8-12(3)6-10)9-13(4)7-10;1-3-8-6-9-4-5-10(7-8)11(9)2;1-10-6-7-11-5-3-2-4-9(11)8-10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-6-9(8-10)4-2-3-5-9;1-9-5-7-3-4-8(6-9)10(7)2;1-9-6-7-10-4-2-8(9)3-5-10;1-9-5-6-10-4-2-3-8(10)7-9;1-9-4-6-2-8-3-7(6)5-9;1-9-4-6-2-3-7(5-9)8-6;1-8-4-5-2-6(8)3-7-5;1-7-6-3-2-4-8-5-6;1-7-3-6-2-5(7)4-8-6;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-5-2-3-7-4-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;/h5-9H2,1-4H3;8-10H,3-7H2,1-2H3;9H,2-8H2,1H3;8-9H,2-7H2,1H3;2-8H2,1H3;7-8H,3-6H2,1-2H3;2*8H,2-7H2,1H3;2*6-8H,2-5H2,1H3;5-7H,2-4H2,1H3;6-8H,2-5H2,1H3;5-6H,2-4H2,1H3;2-6H2,1H3;6H,2-5H2,1H3;5-7H,2-4H2,1H3;2-5H2,1H3;2-5H2,1H3;1H4.

What are the key properties of 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane?

3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 2282.79 g/mol, XLogP of 10.16, 3 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3,8-dimethyl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-8-methyl-8-azabicyclo[3.2.1]octane;methane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;2-methyl-2-azaspiro[4.4]nonane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;4-methyl-1,4-diazabicyclo[3.2.2]nonane;3-methyl-3,8-diazabicyclo[3.2.1]octane;4-methylmorpholine;5-methyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-methylpiperazine;N-methylpiperidin-3-amine;1-methylpiperidine;N-methylpyrrolidin-3-amine;1-methylpyrrolidine;1,3,5,7-tetramethyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 158645987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).