3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)

C125H225N13S2 — CID 159517066

About 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)

3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane) (PubChem CID 159517066) has the molecular formula C125H225N13S2 and a molecular weight of 1974.40 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane).

Molecular Properties

• Compound Name: 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)
• PubChem CID: 159517066
• Molecular Formula: C125H225N13S2
• Molecular Weight: 1974.40 g/mol
• Exact Mass: 1972.74
• IUPAC Name: 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)
• SMILES: C.C.C.C.C.C.C1C2CC3CC1CN(C2)C3.C1CC2CNCC(C1)C2.C1CCC2(CC1)CCC2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CNCCS2.C1CCC2(CC1)CNCCS2.C1CCC2(CCNCC2)NC1.C1CNC2(C1)CCNCC2.C1NCC2CNCC1C2.c1ccc2c(c1)CC1(CCCCC1)CN2.c1ccc2c(c1)CNCC21CCCCC1.c1ccc2c(c1)NCC21CCCCC1
• InChI: InChI=1S/2C14H19N.C13H17N.C10H18.C9H18N2.2C9H17NS.C9H15N.C9H16.C8H16N2.C8H15N.C7H14N2.6CH4/c1-4-8-14(9-5-1)11-15-10-12-6-2-3-7-13(12)14;1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)15-11-14;1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;1-2-6-10(7-3-1)8-4-5-9-10;1-2-6-11-9(3-1)4-7-10-8-5-9;2*1-2-4-9(5-3-1)8-10-6-7-11-9;1-7-2-9-3-8(1)5-10(4-7)6-9;1-2-5-9(6-3-1)7-4-8-9;1-2-8(10-5-1)3-6-9-7-4-8;1-2-7-4-8(3-1)6-9-5-7;1-6-2-8-4-7(1)5-9-3-6;;;;;;/h2*2-3,6-7,15H,1,4-5,8-11H2;2-3,6-7,14H,1,4-5,8-10H2;1-9H2;10-11H,1-8H2;2*10H,1-8H2;7-9H,1-6H2;1-8H2;9-10H,1-7H2;7-9H,1-6H2;6-9H,1-5H2;6*1H4
• InChIKey: MBIIQQPWLVSZTO-UHFFFAOYSA-N
• XLogP: 28.34
• TPSA: 147.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1974.40
LogP ≤ 5	28.34
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)?

The IUPAC name of 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane) (CID 159517066) is 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane).

What is the SMILES notation for 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)?

The canonical SMILES for 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane) is C.C.C.C.C.C.C1C2CC3CC1CN(C2)C3.C1CC2CNCC(C1)C2.C1CCC2(CC1)CCC2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CNCCS2.C1CCC2(CC1)CNCCS2.C1CCC2(CCNCC2)NC1.C1CNC2(C1)CCNCC2.C1NCC2CNCC1C2.c1ccc2c(c1)CC1(CCCCC1)CN2.c1ccc2c(c1)CNCC21CCCCC1.c1ccc2c(c1)NCC21CCCCC1.

What is the InChIKey of 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)?

The InChIKey is MBIIQQPWLVSZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H19N.C13H17N.C10H18.C9H18N2.2C9H17NS.C9H15N.C9H16.C8H16N2.C8H15N.C7H14N2.6CH4/c1-4-8-14(9-5-1)11-15-10-12-6-2-3-7-13(12)14;1-4-8-14(9-5-1)10-12-6-2-3-7-13(12)15-11-14;1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;1-2-6-10(7-3-1)8-4-5-9-10;1-2-6-11-9(3-1)4-7-10-8-5-9;2*1-2-4-9(5-3-1)8-10-6-7-11-9;1-7-2-9-3-8(1)5-10(4-7)6-9;1-2-5-9(6-3-1)7-4-8-9;1-2-8(10-5-1)3-6-9-7-4-8;1-2-7-4-8(3-1)6-9-5-7;1-6-2-8-4-7(1)5-9-3-6;;;;;;/h2*2-3,6-7,15H,1,4-5,8-11H2;2-3,6-7,14H,1,4-5,8-10H2;1-9H2;10-11H,1-8H2;2*10H,1-8H2;7-9H,1-6H2;1-8H2;9-10H,1-7H2;7-9H,1-6H2;6-9H,1-5H2;6*1H4.

What are the key properties of 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)?

3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane) has a molecular weight of 1974.40 g/mol, XLogP of 28.34, 0 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-azabicyclo[3.3.1]nonane;1-azatricyclo[3.3.1.13,7]decane;3,7-diazabicyclo[3.3.1]nonane;1,8-diazaspiro[4.5]decane;1,9-diazaspiro[5.5]undecane;methane;spiro[4.5]decane;spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane) is sourced from PubChem (CID 159517066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).