2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane

C183H408N16O9S — CID 167694139

IUPAC2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CC2(CC2)C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCN2)C1.CC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CC2(CCOC2)C1.CC(C)(C)N1CC2(CCOCC2)C1.CC(C)(C)N1CC2(CCS2(=O)=O)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CC2(COC2)C1.CC(C)(C)N1CCC2(CCO2)CC1.CC(C)(C)N1CCC2(CCOC2)C1.CC(C)(C)N1CCC2(CCOCC2)C1.CC(C)(C)N1CCC2(COC2)C1
InChIInChI=1S/C12H23NO.3C11H21NO.2C10H20N2.2C10H19NO.C10H19N.C9H18N2.C9H17NO2S.C9H17NO.C9H17N.26C2H6/c1-11(2,3)13-7-4-12(10-13)5-8-14-9-6-12;1-10(2,3)12-7-4-11(5-8-12)6-9-13-11;1-10(2,3)12-8-11(9-12)4-6-13-7-5-11;1-10(2,3)12-6-4-11(8-12)5-7-13-9-11;1-9(2,3)12-7-10(8-12)4-5-11-6-10;1-9(2,3)12-7-10(8-12)5-4-6-11-10;1-9(2,3)11-6-10(7-11)4-5-12-8-10;1-9(2,3)11-5-4-10(6-11)7-12-8-10;1-9(2,3)11-7-10(8-11)5-4-6-10;1-8(2,3)11-6-9(7-11)4-10-5-9;1-8(2,3)10-6-9(7-10)4-5-13(9,11)12;1-8(2,3)10-4-9(5-10)6-11-7-9;1-8(2,3)10-6-9(7-10)4-5-9;26*1-2/h4-10H2,1-3H3;3*4-9H2,1-3H3;2*11H,4-8H2,1-3H3;2*4-8H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;26*1-2H3
InChIKeyXJVXGKOXJXXETQ-UHFFFAOYSA-N
MW3009.45 g/mol
LogP46.74
Rot. Bonds

About 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane

2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane (PubChem CID 167694139) has the molecular formula C183H408N16O9S and a molecular weight of 3009.45 g/mol. Its IUPAC name is 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane
PubChem CID167694139
Molecular FormulaC183H408N16O9S
Molecular Weight3009.45 g/mol
Exact Mass3007.17
IUPAC Name2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CC2(CC2)C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCN2)C1.CC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CC2(CCOC2)C1.CC(C)(C)N1CC2(CCOCC2)C1.CC(C)(C)N1CC2(CCS2(=O)=O)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CC2(COC2)C1.CC(C)(C)N1CCC2(CCO2)CC1.CC(C)(C)N1CCC2(CCOC2)C1.CC(C)(C)N1CCC2(CCOCC2)C1.CC(C)(C)N1CCC2(COC2)C1
InChIInChI=1S/C12H23NO.3C11H21NO.2C10H20N2.2C10H19NO.C10H19N.C9H18N2.C9H17NO2S.C9H17NO.C9H17N.26C2H6/c1-11(2,3)13-7-4-12(10-13)5-8-14-9-6-12;1-10(2,3)12-7-4-11(5-8-12)6-9-13-11;1-10(2,3)12-8-11(9-12)4-6-13-7-5-11;1-10(2,3)12-6-4-11(8-12)5-7-13-9-11;1-9(2,3)12-7-10(8-12)4-5-11-6-10;1-9(2,3)12-7-10(8-12)5-4-6-11-10;1-9(2,3)11-6-10(7-11)4-5-12-8-10;1-9(2,3)11-5-4-10(6-11)7-12-8-10;1-9(2,3)11-7-10(8-11)5-4-6-10;1-8(2,3)11-6-9(7-11)4-10-5-9;1-8(2,3)10-6-9(7-10)4-5-13(9,11)12;1-8(2,3)10-4-9(5-10)6-11-7-9;1-8(2,3)10-6-9(7-10)4-5-9;26*1-2/h4-10H2,1-3H3;3*4-9H2,1-3H3;2*11H,4-8H2,1-3H3;2*4-8H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;26*1-2H3
InChIKeyXJVXGKOXJXXETQ-UHFFFAOYSA-N
XLogP46.74
TPSA176.96 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003009.45
LogP ≤ 546.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane?
The IUPAC name of 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane (CID 167694139) is 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane.
What is the SMILES notation for 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane?
The canonical SMILES for 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CC2(CC2)C1.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CC2(CCCN2)C1.CC(C)(C)N1CC2(CCNC2)C1.CC(C)(C)N1CC2(CCOC2)C1.CC(C)(C)N1CC2(CCOCC2)C1.CC(C)(C)N1CC2(CCS2(=O)=O)C1.CC(C)(C)N1CC2(CNC2)C1.CC(C)(C)N1CC2(COC2)C1.CC(C)(C)N1CCC2(CCO2)CC1.CC(C)(C)N1CCC2(CCOC2)C1.CC(C)(C)N1CCC2(CCOCC2)C1.CC(C)(C)N1CCC2(COC2)C1.
What is the InChIKey of 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane?
The InChIKey is XJVXGKOXJXXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.3C11H21NO.2C10H20N2.2C10H19NO.C10H19N.C9H18N2.C9H17NO2S.C9H17NO.C9H17N.26C2H6/c1-11(2,3)13-7-4-12(10-13)5-8-14-9-6-12;1-10(2,3)12-7-4-11(5-8-12)6-9-13-11;1-10(2,3)12-8-11(9-12)4-6-13-7-5-11;1-10(2,3)12-6-4-11(8-12)5-7-13-9-11;1-9(2,3)12-7-10(8-12)4-5-11-6-10;1-9(2,3)12-7-10(8-12)5-4-6-11-10;1-9(2,3)11-6-10(7-11)4-5-12-8-10;1-9(2,3)11-5-4-10(6-11)7-12-8-10;1-9(2,3)11-7-10(8-11)5-4-6-10;1-8(2,3)11-6-9(7-11)4-10-5-9;1-8(2,3)10-6-9(7-10)4-5-13(9,11)12;1-8(2,3)10-4-9(5-10)6-11-7-9;1-8(2,3)10-6-9(7-10)4-5-9;26*1-2/h4-10H2,1-3H3;3*4-9H2,1-3H3;2*11H,4-8H2,1-3H3;2*4-8H2,1-3H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;26*1-2H3.
What are the key properties of 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane?
2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane has a molecular weight of 3009.45 g/mol, XLogP of 46.74, 0 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azaspiro[3.3]heptane;5-tert-butyl-5-azaspiro[2.3]hexane;2-tert-butyl-2,6-diazaspiro[3.3]heptane;2-tert-butyl-2,5-diazaspiro[3.4]octane;2-tert-butyl-2,7-diazaspiro[3.4]octane;6-tert-butyl-1λ6-thia-6-azaspiro[3.3]heptane 1,1-dioxide;2-tert-butyl-8-oxa-2-azaspiro[4.5]decane;6-tert-butyl-2-oxa-6-azaspiro[3.3]heptane;2-tert-butyl-7-oxa-2-azaspiro[3.5]nonane;7-tert-butyl-1-oxa-7-azaspiro[3.5]nonane;7-tert-butyl-2-oxa-7-azaspiro[4.4]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane;7-tert-butyl-2-oxa-7-azaspiro[3.4]octane;ethane is sourced from PubChem (CID 167694139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).