(3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine

C93H164N12O2 — CID 159733222

About (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine

(3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 159733222) has the molecular formula C93H164N12O2 and a molecular weight of 1482.42 g/mol. Its IUPAC name is (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

• Compound Name: (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine
• PubChem CID: 159733222
• Molecular Formula: C93H164N12O2
• Molecular Weight: 1482.42 g/mol
• Exact Mass: 1481.31
• IUPAC Name: (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine
• SMILES: CN1CC2CCCC2C1.CN1CCC2(CC1)CC2.CN1CCC2(CCCCC2)CC1.CN1CCC2(CCCCO2)CC1.CN1CCC2(CCNCC2)CC1.CN1CCC2CNCC21.CN1CC[C@@H]2CCCC[C@@H]21.CN1CCc2ccccc2CC1.CN1C[C@H]2CC[C@@H](C1)O2.CN1C[C@H]2C[C@@H](C1)c1ccccc12
• InChI: InChI=1S/C12H15N.C11H15N.C11H21N.C10H20N2.C10H19NO.C9H17N.2C8H15N.C7H14N2.C7H13NO/c1-13-7-9-6-10(8-13)12-5-3-2-4-11(9)12;1-12-8-6-10-4-2-3-5-11(10)7-9-12;1-12-9-7-11(8-10-12)5-3-2-4-6-11;1-12-8-4-10(5-9-12)2-6-11-7-3-10;1-11-7-5-10(6-8-11)4-2-3-9-12-10;1-10-7-6-8-4-2-3-5-9(8)10;1-9-6-4-8(2-3-8)5-7-9;1-9-5-7-3-2-4-8(7)6-9;1-9-3-2-6-4-8-5-7(6)9;1-8-4-6-2-3-7(5-8)9-6/h2-5,9-10H,6-8H2,1H3;2-5H,6-9H2,1H3;2-10H2,1H3;11H,2-9H2,1H3;2-9H2,1H3;8-9H,2-7H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3/t9-,10+;;;;;8-,9-;;;;6-,7+/m.....0..../s1
• InChIKey: NBMSCHGFFJKOIF-HHRHZIODSA-N
• XLogP: 14.43
• TPSA: 74.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.42
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine?

The IUPAC name of (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine (CID 159733222) is (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine.

What is the SMILES notation for (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine?

The canonical SMILES for (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine is CN1CC2CCCC2C1.CN1CCC2(CC1)CC2.CN1CCC2(CCCCC2)CC1.CN1CCC2(CCCCO2)CC1.CN1CCC2(CCNCC2)CC1.CN1CCC2CNCC21.CN1CC[C@@H]2CCCC[C@@H]21.CN1CCc2ccccc2CC1.CN1C[C@H]2CC[C@@H](C1)O2.CN1C[C@H]2C[C@@H](C1)c1ccccc12.

What is the InChIKey of (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine?

The InChIKey is NBMSCHGFFJKOIF-HHRHZIODSA-N. The full InChI is InChI=1S/C12H15N.C11H15N.C11H21N.C10H20N2.C10H19NO.C9H17N.2C8H15N.C7H14N2.C7H13NO/c1-13-7-9-6-10(8-13)12-5-3-2-4-11(9)12;1-12-8-6-10-4-2-3-5-11(10)7-9-12;1-12-9-7-11(8-10-12)5-3-2-4-6-11;1-12-8-4-10(5-9-12)2-6-11-7-3-10;1-11-7-5-10(6-8-11)4-2-3-9-12-10;1-10-7-6-8-4-2-3-5-9(8)10;1-9-6-4-8(2-3-8)5-7-9;1-9-5-7-3-2-4-8(7)6-9;1-9-3-2-6-4-8-5-7(6)9;1-8-4-6-2-3-7(5-8)9-6/h2-5,9-10H,6-8H2,1H3;2-5H,6-9H2,1H3;2-10H2,1H3;11H,2-9H2,1H3;2-9H2,1H3;8-9H,2-7H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;6-8H,2-5H2,1H3;6-7H,2-5H2,1H3/t9-,10+;;;;;8-,9-;;;;6-,7+/m.....0..../s1.

What are the key properties of (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine?

(3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 1482.42 g/mol, XLogP of 14.43, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;(1R,8S)-10-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene;3-methyl-3,9-diazaspiro[5.5]undecane;(1S,5R)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octane;9-methyl-1-oxa-9-azaspiro[5.5]undecane;3-methyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 159733222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).