2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane

C22H40N2 — CID 134228301

IUPAC2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane
SMILESCC(C)(C1CC2(CCNCC2)C1)C(C)(C)C1CC2(CCCNC2)C1
InChIInChI=1S/C22H40N2/c1-19(2,17-12-21(13-17)7-10-23-11-8-21)20(3,4)18-14-22(15-18)6-5-9-24-16-22/h17-18,23-24H,5-16H2,1-4H3
InChIKeyCUBFMKMSVARAPH-UHFFFAOYSA-N
MW332.58 g/mol
LogP4.60
Rot. Bonds3

About 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane

2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane (PubChem CID 134228301) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane
PubChem CID134228301
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane
SMILESCC(C)(C1CC2(CCNCC2)C1)C(C)(C)C1CC2(CCCNC2)C1
InChIInChI=1S/C22H40N2/c1-19(2,17-12-21(13-17)7-10-23-11-8-21)20(3,4)18-14-22(15-18)6-5-9-24-16-22/h17-18,23-24H,5-16H2,1-4H3
InChIKeyCUBFMKMSVARAPH-UHFFFAOYSA-N
XLogP4.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane with MolForge

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Related Compounds

(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
2,9-diazaspiro[4.5]decane;methane
CID 143578856
6-azaspiro[3.5]nonan-2-ol
CID 154733338
2,8-diazaspiro[4.5]decane;ethane
CID 143048064
7-azaspiro[4.6]undecane
CID 75488634
11-azadispiro[4.2.58.25]pentadecane
CID 114820262
2-azaspiro[4.5]decane;ethene
CID 171834081
3-tert-butyl-3-ethylpiperidine
CID 89426414
2,7-diazaspiro[3.4]octane;ethane
CID 143687523
7-azaspiro[4.6]undecane;hydrochloride
CID 138039788
2,7-diazaspiro[3.4]octane;ethane
CID 171068778
3-tert-butyl-2-thia-7-azaspiro[4.4]nonane
CID 171409105

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane (CID 134228301) is 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane is CC(C)(C1CC2(CCNCC2)C1)C(C)(C)C1CC2(CCCNC2)C1.
What is the InChIKey of 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane?
The InChIKey is CUBFMKMSVARAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-19(2,17-12-21(13-17)7-10-23-11-8-21)20(3,4)18-14-22(15-18)6-5-9-24-16-22/h17-18,23-24H,5-16H2,1-4H3.
What are the key properties of 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane?
2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane has a molecular weight of 332.58 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-azaspiro[3.5]nonan-2-yl)-2,3-dimethylbutan-2-yl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 134228301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).