2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane

C28H55N5 — CID 165007381

IUPAC2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane
SMILESCC1CC2(C1)CN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCCC2(CCN(C)C2)C1
InChIInChI=1S/2C10H20N2.C8H15N/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-11-6-3-4-10(8-11)5-7-12(2)9-10;1-7-3-8(4-7)5-9(2)6-8/h2*3-9H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyJEAGJBFGYYAUMG-UHFFFAOYSA-N
MW461.78 g/mol
LogP3.42
Rot. Bonds

About 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane

2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane (PubChem CID 165007381) has the molecular formula C28H55N5 and a molecular weight of 461.78 g/mol. Its IUPAC name is 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane
PubChem CID165007381
Molecular FormulaC28H55N5
Molecular Weight461.78 g/mol
Exact Mass461.45
IUPAC Name2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane
SMILESCC1CC2(C1)CN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCCC2(CCN(C)C2)C1
InChIInChI=1S/2C10H20N2.C8H15N/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-11-6-3-4-10(8-11)5-7-12(2)9-10;1-7-3-8(4-7)5-9(2)6-8/h2*3-9H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyJEAGJBFGYYAUMG-UHFFFAOYSA-N
XLogP3.42
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.78
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

2-[2,5-Dimethyl-5-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)hexan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane
CID 146201435
2-[(7-Ethyl-7-azaspiro[3.5]nonan-2-yl)methyl]-7-methyl-2,7-diazaspiro[3.5]nonane
CID 155184441
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
7-Methyl-7-azaspiro[3.5]nonane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157562198
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
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
1,3-Dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine
CID 159718492
1-methyl-3-(2-methylpropyl)azetidine;(2R)-1-methyl-2-(2-methylpropyl)pyrrolidine;2-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane;1-methyl-4-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpiperidine;(3S)-1-methyl-3-propan-2-ylpyrrolidine
CID 160333907
1-Methyl-3-(2-methylpropyl)azetidine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methyl-6-propan-2-yl-2-azaspiro[3.3]heptane;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 160333908
bis(1-tert-butyl-3-methylazetidine);(3R)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methylpyrrolidine;bis(1,4-ditert-butylpiperidine);ethane
CID 160401540
Bis(6-methyl-2-propan-2-yl-6-azaspiro[3.5]nonane);bis(6-methyl-2-propan-2-yl-6-azaspiro[3.4]octane)
CID 161786673

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane (CID 165007381) is 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane is CC1CC2(C1)CN(C)C2.CN1CCC2(CC1)CCN(C)C2.CN1CCCC2(CCN(C)C2)C1.
What is the InChIKey of 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane?
The InChIKey is JEAGJBFGYYAUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20N2.C8H15N/c1-11-6-3-10(4-7-11)5-8-12(2)9-10;1-11-6-3-4-10(8-11)5-7-12(2)9-10;1-7-3-8(4-7)5-9(2)6-8/h2*3-9H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane?
2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane has a molecular weight of 461.78 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-azaspiro[3.3]heptane;2,8-dimethyl-2,8-diazaspiro[4.5]decane;2,9-dimethyl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 165007381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).