2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol

C12H23NO2 — CID 104549671

IUPAC2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol
SMILESCCC(C)(CO)N1CC2(CCOCC2)C1
InChIInChI=1S/C12H23NO2/c1-3-11(2,10-14)13-8-12(9-13)4-6-15-7-5-12/h14H,3-10H2,1-2H3
InChIKeyGYNLNAACKDTDDT-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds3

About 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol

2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol (PubChem CID 104549671) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol
PubChem CID104549671
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol
SMILESCCC(C)(CO)N1CC2(CCOCC2)C1
InChIInChI=1S/C12H23NO2/c1-3-11(2,10-14)13-8-12(9-13)4-6-15-7-5-12/h14H,3-10H2,1-2H3
InChIKeyGYNLNAACKDTDDT-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
The IUPAC name of 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol (CID 104549671) is 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
The canonical SMILES for 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol is CCC(C)(CO)N1CC2(CCOCC2)C1.
What is the InChIKey of 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
The InChIKey is GYNLNAACKDTDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11(2,10-14)13-8-12(9-13)4-6-15-7-5-12/h14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol?
2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)butan-1-ol is sourced from PubChem (CID 104549671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).