2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol

C13H25NO — CID 104549693

IUPAC2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)N1CC2(CCCCC2)C1
InChIInChI=1S/C13H25NO/c1-3-12(2,11-15)14-9-13(10-14)7-5-4-6-8-13/h15H,3-11H2,1-2H3
InChIKeyQQEFLGAJUYEDQE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol

2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol (PubChem CID 104549693) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol
PubChem CID104549693
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)N1CC2(CCCCC2)C1
InChIInChI=1S/C13H25NO/c1-3-12(2,11-15)14-9-13(10-14)7-5-4-6-8-13/h15H,3-11H2,1-2H3
InChIKeyQQEFLGAJUYEDQE-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol
CID 107866921
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylbutan-1-ol
CID 104549673
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
2-(3,3-dipropylazetidin-1-yl)-2-methylpropane-1,3-diol
CID 104550734
2-(azepan-1-yl)-2-methylpropane-1,3-diol
CID 104550731
3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
CID 104550414
3-(2-azaspiro[3.6]decan-2-yl)-2,2,3-trimethylbutanoic acid
CID 79694190
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)butan-1-ol
CID 107861571
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol
CID 104550126
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
3-(2-azaspiro[3.3]heptan-2-ylmethyl)pentan-3-amine
CID 115306385
2-(2-azaspiro[3.6]decan-2-yl)propane-1,3-diol
CID 104550086

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol (CID 104549693) is 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol is CCC(C)(CO)N1CC2(CCCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol?
The InChIKey is QQEFLGAJUYEDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-12(2,11-15)14-9-13(10-14)7-5-4-6-8-13/h15H,3-11H2,1-2H3.
What are the key properties of 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol?
2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 104549693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).