3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol

C10H19NO2 — CID 104550414

IUPAC3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CN1CC2(CCC2)C1
InChIInChI=1S/C10H19NO2/c1-9(13,8-12)5-11-6-10(7-11)3-2-4-10/h12-13H,2-8H2,1H3
InChIKeyBAQISGYXZQJVPE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.22
Rot. Bonds3

About 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol

3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol (PubChem CID 104550414) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
PubChem CID104550414
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CN1CC2(CCC2)C1
InChIInChI=1S/C10H19NO2/c1-9(13,8-12)5-11-6-10(7-11)3-2-4-10/h12-13H,2-8H2,1H3
InChIKeyBAQISGYXZQJVPE-UHFFFAOYSA-N
XLogP0.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol
CID 106172591
3-(5-azaspiro[2.3]hexan-5-yl)-2,2-dimethylpropan-1-ol
CID 104550659
3-(2-azaspiro[3.3]heptan-2-ylmethyl)pentan-3-amine
CID 115306385
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
3-(5-azaspiro[2.3]hexan-5-ylmethyl)pentan-3-ol
CID 104549859
2-(2-azaspiro[3.5]nonan-2-yl)-2-methylbutan-1-ol
CID 104549693
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
2-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 118300646
4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol
CID 127900251
2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol
CID 107866921
3-(2-azaspiro[3.3]heptan-2-yl)prop-1-yn-1-amine;ethane
CID 167466651

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol?
The IUPAC name of 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol (CID 104550414) is 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol?
The canonical SMILES for 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol is CC(O)(CO)CN1CC2(CCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol?
The InChIKey is BAQISGYXZQJVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(13,8-12)5-11-6-10(7-11)3-2-4-10/h12-13H,2-8H2,1H3.
What are the key properties of 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol?
3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol has a molecular weight of 185.27 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol is sourced from PubChem (CID 104550414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).