7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane

C74H140N8O3 — CID 167645524

IUPAC7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)(C)N1CCC2(CCC2)CC1.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1COC2.CC(C)N1CC2(COC2)C1.CC(C)N1CC2CC1CO2.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCC2CC21
InChIInChI=1S/C12H23N.C10H19NO.2C10H19N.2C8H15NO.2C8H15N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-8(2)11-9-4-3-5-10(11)7-12-6-9;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)9-3-8(4-9)5-10-6-8;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-4-3-7-5-8(7)9/h4-10H2,1-3H3;8-10H,3-7H2,1-2H3;2*8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-8H,3-5H2,1-2H3
InChIKeyPUVKKDVXGUDKDK-UHFFFAOYSA-N
MW1189.99 g/mol
LogP13.67
Rot. Bonds7

About 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane

7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 167645524) has the molecular formula C74H140N8O3 and a molecular weight of 1189.99 g/mol. Its IUPAC name is 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
PubChem CID167645524
Molecular FormulaC74H140N8O3
Molecular Weight1189.99 g/mol
Exact Mass1189.10
IUPAC Name7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
SMILESCC(C)(C)N1CCC2(CCC2)CC1.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1COC2.CC(C)N1CC2(COC2)C1.CC(C)N1CC2CC1CO2.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCC2CC21
InChIInChI=1S/C12H23N.C10H19NO.2C10H19N.2C8H15NO.2C8H15N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-8(2)11-9-4-3-5-10(11)7-12-6-9;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)9-3-8(4-9)5-10-6-8;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-4-3-7-5-8(7)9/h4-10H2,1-3H3;8-10H,3-7H2,1-2H3;2*8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-8H,3-5H2,1-2H3
InChIKeyPUVKKDVXGUDKDK-UHFFFAOYSA-N
XLogP13.67
TPSA53.61 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.99
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane (CID 167645524) is 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane is CC(C)(C)N1CCC2(CCC2)CC1.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1COC2.CC(C)N1CC2(COC2)C1.CC(C)N1CC2CC1CO2.CC(C)N1CC2CC2C1.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCC2CC21.
What is the InChIKey of 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is PUVKKDVXGUDKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C10H19NO.2C10H19N.2C8H15NO.2C8H15N/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-8(2)11-9-4-3-5-10(11)7-12-6-9;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)9-3-8(4-9)5-10-6-8;1-6(2)9-4-8-3-7(9)5-10-8;1-6(2)9-4-7-3-8(7)5-9;1-6(2)9-4-3-7-5-8(7)9/h4-10H2,1-3H3;8-10H,3-7H2,1-2H3;2*8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;2*6-8H,3-5H2,1-2H3.
What are the key properties of 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane?
7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 1189.99 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;9-propan-2-yl-3-oxa-9-azabicyclo[3.3.1]nonane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 167645524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).