ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane

C51H106N4O2 — CID 167593121

IUPACethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
SMILESCC.CC.CC.CC.CC(C)N1CCC2(CCCC2)C1.CC(C)N1CCC2(CCCCC2)C1.CC(C)N1CCC2(CCOCC2)C1.CC(C)N1CCC2(COC2)C1
InChIInChI=1S/C12H23N.C11H21NO.C11H21N.C9H17NO.4C2H6/c1-11(2)13-9-8-12(10-13)6-4-3-5-7-12;1-10(2)12-6-3-11(9-12)4-7-13-8-5-11;1-10(2)12-8-7-11(9-12)5-3-4-6-11;1-8(2)10-4-3-9(5-10)6-11-7-9;4*1-2/h11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8H,3-7H2,1-2H3;4*1-2H3
InChIKeyIRIVNFLZEVQHHR-UHFFFAOYSA-N
MW807.43 g/mol
LogP12.83
Rot. Bonds4

About ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane

ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane (PubChem CID 167593121) has the molecular formula C51H106N4O2 and a molecular weight of 807.43 g/mol. Its IUPAC name is ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
PubChem CID167593121
Molecular FormulaC51H106N4O2
Molecular Weight807.43 g/mol
Exact Mass806.83
IUPAC Nameethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
SMILESCC.CC.CC.CC.CC(C)N1CCC2(CCCC2)C1.CC(C)N1CCC2(CCCCC2)C1.CC(C)N1CCC2(CCOCC2)C1.CC(C)N1CCC2(COC2)C1
InChIInChI=1S/C12H23N.C11H21NO.C11H21N.C9H17NO.4C2H6/c1-11(2)13-9-8-12(10-13)6-4-3-5-7-12;1-10(2)12-6-3-11(9-12)4-7-13-8-5-11;1-10(2)12-8-7-11(9-12)5-3-4-6-11;1-8(2)10-4-3-9(5-10)6-11-7-9;4*1-2/h11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8H,3-7H2,1-2H3;4*1-2H3
InChIKeyIRIVNFLZEVQHHR-UHFFFAOYSA-N
XLogP12.83
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.43
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane with MolForge

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Related Compounds

ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
2-propan-2-yl-2-azaspiro[4.5]decane;8-propan-2-yl-8-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[3.3]heptane;5-propan-2-yl-5-azaspiro[2.4]heptane;5-propan-2-yl-5-azaspiro[2.3]hexane;2-propan-2-yl-2-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[4.4]nonane;7-propan-2-yl-7-azaspiro[3.5]nonane;2-propan-2-yl-2-azaspiro[3.4]octane;6-propan-2-yl-6-azaspiro[2.5]octane;6-propan-2-yl-6-azaspiro[3.4]octane;3-propan-2-yl-3-azaspiro[5.5]undecane;2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;2-propan-2-yl-7-oxa-2-azaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane;2-propan-2-yl-6-oxa-2-azaspiro[3.4]octane
CID 160619915
2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
CID 170709269
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane
CID 176693659
8-propan-2-yl-2,8-diazaspiro[4.5]decane;2-propan-2-yl-2,7-diazaspiro[4.4]nonane;6-propan-2-yl-2,6-diazaspiro[3.4]octane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;8-propan-2-yl-2-oxa-8-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 162205455
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167655011
7-(1-chloroethyl)-2-oxa-7-azaspiro[4.4]nonane
CID 166849919
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 130621433

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The IUPAC name of ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane (CID 167593121) is ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane is CC.CC.CC.CC.CC(C)N1CCC2(CCCC2)C1.CC(C)N1CCC2(CCCCC2)C1.CC(C)N1CCC2(CCOCC2)C1.CC(C)N1CCC2(COC2)C1.
What is the InChIKey of ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
The InChIKey is IRIVNFLZEVQHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C11H21NO.C11H21N.C9H17NO.4C2H6/c1-11(2)13-9-8-12(10-13)6-4-3-5-7-12;1-10(2)12-6-3-11(9-12)4-7-13-8-5-11;1-10(2)12-8-7-11(9-12)5-3-4-6-11;1-8(2)10-4-3-9(5-10)6-11-7-9;4*1-2/h11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;8H,3-7H2,1-2H3;4*1-2H3.
What are the key properties of ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane?
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane has a molecular weight of 807.43 g/mol, XLogP of 12.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 167593121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).