3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol

C14H27NO2 — CID 106116977

IUPAC3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol
SMILESCCCC(CCO)CN1CC2(CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-3-13(4-7-16)10-15-11-14(12-15)5-8-17-9-6-14/h13,16H,2-12H2,1H3
InChIKeyCDJBHKFMGJGISK-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds6

About 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol

3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol (PubChem CID 106116977) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol.

Molecular Properties

Compound Name3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol
PubChem CID106116977
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol
SMILESCCCC(CCO)CN1CC2(CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-3-13(4-7-16)10-15-11-14(12-15)5-8-17-9-6-14/h13,16H,2-12H2,1H3
InChIKeyCDJBHKFMGJGISK-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol?
The IUPAC name of 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol (CID 106116977) is 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol.
What is the SMILES notation for 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol?
The canonical SMILES for 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol is CCCC(CCO)CN1CC2(CCOCC2)C1.
What is the InChIKey of 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol?
The InChIKey is CDJBHKFMGJGISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-13(4-7-16)10-15-11-14(12-15)5-8-17-9-6-14/h13,16H,2-12H2,1H3.
What are the key properties of 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol?
3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)hexan-1-ol is sourced from PubChem (CID 106116977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).