3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)

C185H303N19OS2 — CID 157177312

About 3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];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;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane) (PubChem CID 157177312) has the molecular formula C185H303N19OS2 and a molecular weight of 2873.72 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];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;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)
• PubChem CID: 157177312
• Molecular Formula: C185H303N19OS2
• Molecular Weight: 2873.72 g/mol
• Exact Mass: 2871.37
• IUPAC Name: 3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)
• SMILES: C1C2CC3CC1CN(C2)C3.C1CC2(C1)CCNCC2.C1CC2CNCC(C1)C2.C1CCC2(C1)CCNC2.C1CCC2(CC1)CCC2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CNCCO2.C1CCC2(CC1)CNCCS2.C1CCC2(CC1)CNCCS2.C1CCC2(CCNCC2)NC1.C1CNC2(C1)CCNCC2.C1NCC2CNCC1C2.c1ccc2c(c1)CC1(CCCCC1)CN2.c1ccc2c(c1)CCC1(CCNCC1)C2.c1ccc2c(c1)CCC21CCNCC1.c1ccc2c(c1)CCCC21CCNCC1.c1ccc2c(c1)CNCC21CCCCC1.c1ccc2c(c1)NCC21CCCCC1
• InChI: InChI=1S/4C14H19N.2C13H17N.C10H18.C9H18N2.C9H17NO.2C9H17NS.C9H15N.C9H16.C8H16N2.3C8H15N.C7H14N2/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;1-2-6-13-12(4-1)5-3-7-14(13)8-10-15-11-9-14;1-2-4-13-11-14(6-5-12(13)3-1)7-9-15-10-8-14;1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;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;3*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;1-2-8(3-1)4-6-9-7-5-8;1-2-4-8(3-1)5-6-9-7-8;1-6-2-8-4-7(1)5-9-3-6/h2*2-3,6-7,15H,1,4-5,8-11H2;1-2,4,6,15H,3,5,7-11H2;1-4,15H,5-11H2;2-3,6-7,14H,1,4-5,8-10H2;1-4,14H,5-10H2;1-9H2;10-11H,1-8H2;3*10H,1-8H2;7-9H,1-6H2;1-8H2;9-10H,1-7H2;7-9H,1-6H2;2*9H,1-7H2;6-9H,1-5H2
• InChIKey: AODXCEVZZBNCAO-UHFFFAOYSA-N
• XLogP: 36.36
• TPSA: 229.01 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 22
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2873.72
LogP ≤ 5	36.36
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];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;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane) (CID 157177312) is 3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];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;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];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;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane) is C1C2CC3CC1CN(C2)C3.C1CC2(C1)CCNCC2.C1CC2CNCC(C1)C2.C1CCC2(C1)CCNC2.C1CCC2(CC1)CCC2.C1CCC2(CC1)CCCC2.C1CCC2(CC1)CNCCO2.C1CCC2(CC1)CNCCS2.C1CCC2(CC1)CNCCS2.C1CCC2(CCNCC2)NC1.C1CNC2(C1)CCNCC2.C1NCC2CNCC1C2.c1ccc2c(c1)CC1(CCCCC1)CN2.c1ccc2c(c1)CCC1(CCNCC1)C2.c1ccc2c(c1)CCC21CCNCC1.c1ccc2c(c1)CCCC21CCNCC1.c1ccc2c(c1)CNCC21CCCCC1.c1ccc2c(c1)NCC21CCCCC1.

What is the InChIKey of 3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];spiro[2,4-dihydro-1H-quinoline-3,1'-cyclohexane];spiro[3.5]nonane;bis(1-thia-4-azaspiro[5.5]undecane)?

The InChIKey is AODXCEVZZBNCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H19N.2C13H17N.C10H18.C9H18N2.C9H17NO.2C9H17NS.C9H15N.C9H16.C8H16N2.3C8H15N.C7H14N2/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;1-2-6-13-12(4-1)5-3-7-14(13)8-10-15-11-9-14;1-2-4-13-11-14(6-5-12(13)3-1)7-9-15-10-8-14;1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;1-2-4-12-11(3-1)5-6-13(12)7-9-14-10-8-13;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;3*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;1-2-8(3-1)4-6-9-7-5-8;1-2-4-8(3-1)5-6-9-7-8;1-6-2-8-4-7(1)5-9-3-6/h2*2-3,6-7,15H,1,4-5,8-11H2;1-2,4,6,15H,3,5,7-11H2;1-4,15H,5-11H2;2-3,6-7,14H,1,4-5,8-10H2;1-4,14H,5-10H2;1-9H2;10-11H,1-8H2;3*10H,1-8H2;7-9H,1-6H2;1-8H2;9-10H,1-7H2;7-9H,1-6H2;2*9H,1-7H2;6-9H,1-5H2.

What are the key properties of 3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];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;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];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 2873.72 g/mol, XLogP of 36.36, 0 rotatable bonds, 18 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-azabicyclo[3.3.1]nonane;2-azaspiro[4.4]nonane;7-azaspiro[3.5]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;1-oxa-4-azaspiro[5.5]undecane;spiro[4.5]decane;spiro[1,2-dihydroindene-3,4'-piperidine];spiro[1,2-dihydroindole-3,1'-cyclohexane];spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane];spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine];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 157177312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).