2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane

C88H189N11 — CID 163808628

IUPAC2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCCC2(C1)CN(C(C)C)C2
InChIInChI=1S/3C13H26N2.2C12H24N2.C12H23N.6C2H6.CH4/c2*1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-11(2)14-7-5-6-13(8-14)9-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;6*1-2;/h3*11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;6*1-2H3;1H4
InChIKeyNLHMBNYMOPZBGS-UHFFFAOYSA-N
MW1401.56 g/mol
LogP19.78
Rot. Bonds12

About 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane

2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane (PubChem CID 163808628) has the molecular formula C88H189N11 and a molecular weight of 1401.56 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane
PubChem CID163808628
Molecular FormulaC88H189N11
Molecular Weight1401.56 g/mol
Exact Mass1400.51
IUPAC Name2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCCC2(C1)CN(C(C)C)C2
InChIInChI=1S/3C13H26N2.2C12H24N2.C12H23N.6C2H6.CH4/c2*1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-11(2)14-7-5-6-13(8-14)9-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;6*1-2;/h3*11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;6*1-2H3;1H4
InChIKeyNLHMBNYMOPZBGS-UHFFFAOYSA-N
XLogP19.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.56
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane with MolForge

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Related Compounds

2,6-Di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;1-methyl-2,4-di(propan-2-yl)piperazine
CID 157118836
bis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 157462762
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);ethane
CID 157465865
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);propane
CID 157557675
2,7-Di(propan-2-yl)-7-azaspiro[3.5]nonane;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane;1,4-di(propan-2-yl)piperazine
CID 157869406
2,6-Di(propan-2-yl)-2-azaspiro[3.3]heptane;1,3-di(propan-2-yl)azetidine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine
CID 158068005
1,3-Di(propan-2-yl)azetidine;2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;1,3-di(propan-2-yl)pyrrolidine
CID 158271104
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1-methylazetidine;1-methylpiperidine;1-methylpyrrolidine
CID 159478610
tetrakis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);ethane
CID 159510879
2,7-Di(propan-2-yl)-7-azaspiro[3.5]nonane;2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane)
CID 159565538
2,6-Di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane
CID 159931705
tetrakis(1,3-ditert-butylazetidine);1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine);(3R)-1,3-ditert-butylpyrrolidine;(3S)-1,3-ditert-butylpyrrolidine
CID 160099104

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane?
The IUPAC name of 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane (CID 163808628) is 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane.
What is the SMILES notation for 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane?
The canonical SMILES for 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane is C.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(C1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCC2(CC1)CN(C(C)C)C2.CC(C)N1CCCC2(C1)CN(C(C)C)C2.
What is the InChIKey of 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane?
The InChIKey is NLHMBNYMOPZBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H26N2.2C12H24N2.C12H23N.6C2H6.CH4/c2*1-11(2)14-7-5-13(6-8-14)9-15(10-13)12(3)4;1-11(2)14-7-5-6-13(8-14)9-15(10-13)12(3)4;2*1-10(2)13-6-5-12(7-13)8-14(9-12)11(3)4;1-9(2)11-5-12(6-11)7-13(8-12)10(3)4;6*1-2;/h3*11-12H,5-10H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;6*1-2H3;1H4.
What are the key properties of 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane?
2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane has a molecular weight of 1401.56 g/mol, XLogP of 19.78, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-2-azaspiro[3.3]heptane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.5]nonane);2,8-di(propan-2-yl)-2,8-diazaspiro[3.5]nonane;bis(2,7-di(propan-2-yl)-2,7-diazaspiro[3.4]octane);ethane;methane is sourced from PubChem (CID 163808628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).