3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane

C43H85N7 — CID 159107332

IUPAC3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane
SMILESCC1CCC2(CC1)CCN(C)CC2.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)CC2
InChIInChI=1S/C12H23N.C11H22N2.2C10H20N2/c1-11-3-5-12(6-4-11)7-9-13(2)10-8-12;1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-11-6-3-10(4-7-11)5-8-12(2)9-10/h11H,3-10H2,1-2H3;3-10H2,1-2H3;2*3-9H2,1-2H3
InChIKeyKEAYQLJXYVLOBH-UHFFFAOYSA-N
MW700.20 g/mol
LogP6.40
Rot. Bonds

About 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane

3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane (PubChem CID 159107332) has the molecular formula C43H85N7 and a molecular weight of 700.20 g/mol. Its IUPAC name is 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane
PubChem CID159107332
Molecular FormulaC43H85N7
Molecular Weight700.20 g/mol
Exact Mass699.69
IUPAC Name3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane
SMILESCC1CCC2(CC1)CCN(C)CC2.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)CC2
InChIInChI=1S/C12H23N.C11H22N2.2C10H20N2/c1-11-3-5-12(6-4-11)7-9-13(2)10-8-12;1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-11-6-3-10(4-7-11)5-8-12(2)9-10/h11H,3-10H2,1-2H3;3-10H2,1-2H3;2*3-9H2,1-2H3
InChIKeyKEAYQLJXYVLOBH-UHFFFAOYSA-N
XLogP6.40
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.20
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane with MolForge

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Launch Full Analysis

Related Compounds

3-Tert-butyl-9-[[1-tert-butyl-2-[2-[4-[(8-tert-butyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidin-1-yl]-2-methylpropyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 146548378
(2S)-2-(2,2-dimethylpropyl)piperidine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;ethane;(3R)-3-methyl-1-azabicyclo[2.2.2]octane;(3R)-3-methylpiperidine;3-methylpyrrolidine
CID 157227249
1,3-Di(propan-2-yl)piperidine;2-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-methyl-1,3-di(propan-2-yl)piperidine;1-(2-methylpropyl)-7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-(2-methylpropyl)-1-propan-2-ylpiperidine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;4-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 158532921
1,4-Dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
CID 158606116
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;(2S)-1,2-ditert-butylpiperidine;ethane;propane
CID 158654218
1,3-Dimethylcyclohexane;1,4-dimethylcyclohexane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;1,4-dimethylpiperazine;1,3-dimethylpiperidine;bis(1,4-dimethylpiperidine);1,3-dimethylpyrrolidine
CID 158830009
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;ethane
CID 159665952
1-tert-butyl-2-(2,2-dimethylpropyl)piperidine;1-tert-butyl-2-methylpiperidine;(2S)-1-tert-butyl-2-methylpiperidine;(2R)-1-tert-butyl-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;ethane
CID 159956624
3,7-Ditert-butyl-7-azaspiro[4.5]decane;3,8-ditert-butyl-8-azaspiro[4.5]decane;2,9-ditert-butyl-2-azaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane;2,9-ditert-butyl-2,9-diazaspiro[4.5]decane
CID 160580149
Methane;1-methyl-3-(3-methylbutyl)cyclohexane;1-methyl-4-(3-methylbutyl)cyclohexane;1-methyl-3-(3-methylbutyl)cyclopentane;1-methyl-3-(3-methylbutyl)piperidine;1-methyl-4-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine;3-methyl-1-(3-methylbutyl)pyrrolidine
CID 160622142
1-Ethyl-1-[[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium;1-ethyl-1-[[4-[(1-ethylpyrrolidin-1-ium-1-yl)methyl]cyclohexyl]methyl]pyrrolidin-1-ium;1-methyl-1-[[4-[(1-methylpiperidin-1-ium-1-yl)methyl]cyclohexyl]methyl]piperidin-1-ium
CID 161164935
2,7-Di(propan-2-yl)-2-azaspiro[4.5]decane;2,8-di(propan-2-yl)-2-azaspiro[4.5]decane;2,9-di(propan-2-yl)-2-azaspiro[5.5]undecane;2,10-di(propan-2-yl)-2-azaspiro[5.5]undecane;3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;3,10-di(propan-2-yl)-3-azaspiro[5.5]undecane
CID 161280540

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane (CID 159107332) is 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane is CC1CCC2(CC1)CCN(C)CC2.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCC2(CC1)CCN(C)CC2.
What is the InChIKey of 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane?
The InChIKey is KEAYQLJXYVLOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C11H22N2.2C10H20N2/c1-11-3-5-12(6-4-11)7-9-13(2)10-8-12;1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-11-6-3-10(4-7-11)5-8-12(2)9-10/h11H,3-10H2,1-2H3;3-10H2,1-2H3;2*3-9H2,1-2H3.
What are the key properties of 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane?
3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane has a molecular weight of 700.20 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-3-azaspiro[5.5]undecane;bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);3,9-dimethyl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 159107332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).