(4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane

C77H163N13 — CID 160835642

About (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane

(4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 160835642) has the molecular formula C77H163N13 and a molecular weight of 1271.24 g/mol. Its IUPAC name is (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

• Compound Name: (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane
• PubChem CID: 160835642
• Molecular Formula: C77H163N13
• Molecular Weight: 1271.24 g/mol
• Exact Mass: 1270.32
• IUPAC Name: (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane
• SMILES: C.C.C.C.C.CN1CC2(CCCCC2)C1.CN1CC2CCCCC2C1.CN1CCC2(CCCC2)CC1.CN1CCC2CN(C)CC2C1.CN1CCN2CCCC2C1.CN1C[C@H]2CCCN[C@H]2C1.CN1C[C@H]2CNC[C@H]21.CNCC1CCC1.CNCCC1CCC1
• InChI: InChI=1S/C10H19N.C9H18N2.2C9H17N.2C8H16N2.C7H15N.C6H12N2.C6H13N.5CH4/c1-11-8-6-10(7-9-11)4-2-3-5-10;1-10-4-3-8-5-11(2)7-9(8)6-10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-9(8-10)5-3-2-4-6-9;1-10-5-7-3-2-4-9-8(7)6-10;1-9-5-6-10-4-2-3-8(10)7-9;1-8-6-5-7-3-2-4-7;1-8-4-5-2-7-3-6(5)8;1-7-5-6-3-2-4-6;;;;;/h2-9H2,1H3;8-9H,3-7H2,1-2H3;8-9H,2-7H2,1H3;2-8H2,1H3;7-9H,2-6H2,1H3;8H,2-7H2,1H3;7-8H,2-6H2,1H3;5-7H,2-4H2,1H3;6-7H,2-5H2,1H3;5*1H4/t;;;;7-,8+;;;5-,6-;;;;;;/m....1..1....../s1
• InChIKey: SHJJYWIAOIIGJG-PNSKIUIDSA-N
• XLogP: 12.19
• TPSA: 77.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1271.24
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane?

The IUPAC name of (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane (CID 160835642) is (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane.

What is the SMILES notation for (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane?

The canonical SMILES for (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane is C.C.C.C.C.CN1CC2(CCCCC2)C1.CN1CC2CCCCC2C1.CN1CCC2(CCCC2)CC1.CN1CCC2CN(C)CC2C1.CN1CCN2CCCC2C1.CN1C[C@H]2CCCN[C@H]2C1.CN1C[C@H]2CNC[C@H]21.CNCC1CCC1.CNCCC1CCC1.

What is the InChIKey of (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane?

The InChIKey is SHJJYWIAOIIGJG-PNSKIUIDSA-N. The full InChI is InChI=1S/C10H19N.C9H18N2.2C9H17N.2C8H16N2.C7H15N.C6H12N2.C6H13N.5CH4/c1-11-8-6-10(7-9-11)4-2-3-5-10;1-10-4-3-8-5-11(2)7-9(8)6-10;1-10-6-8-4-2-3-5-9(8)7-10;1-10-7-9(8-10)5-3-2-4-6-9;1-10-5-7-3-2-4-9-8(7)6-10;1-9-5-6-10-4-2-3-8(10)7-9;1-8-6-5-7-3-2-4-7;1-8-4-5-2-7-3-6(5)8;1-7-5-6-3-2-4-6;;;;;/h2-9H2,1H3;8-9H,3-7H2,1-2H3;8-9H,2-7H2,1H3;2-8H2,1H3;7-9H,2-6H2,1H3;8H,2-7H2,1H3;7-8H,2-6H2,1H3;5-7H,2-4H2,1H3;6-7H,2-5H2,1H3;5*1H4/t;;;;7-,8+;;;5-,6-;;;;;;/m....1..1....../s1.

What are the key properties of (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane?

(4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 1271.24 g/mol, XLogP of 12.19, 5 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,7aR)-6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;2-cyclobutyl-N-methylethanamine;1-cyclobutyl-N-methylmethanamine;2,5-dimethyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;methane;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;8-methyl-8-azaspiro[4.5]decane;2-methyl-2-azaspiro[3.5]nonane;(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 160835642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).