7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol

C9H17NO3 — CID 23315500

IUPAC7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol
SMILESCNC1CCCC2(OCCO2)C1O
InChIInChI=1S/C9H17NO3/c1-10-7-3-2-4-9(8(7)11)12-5-6-13-9/h7-8,10-11H,2-6H2,1H3
InChIKeyREIPZEMPZNEXAU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.14
Rot. Bonds1

About 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol

7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol (PubChem CID 23315500) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol
PubChem CID23315500
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol
SMILESCNC1CCCC2(OCCO2)C1O
InChIInChI=1S/C9H17NO3/c1-10-7-3-2-4-9(8(7)11)12-5-6-13-9/h7-8,10-11H,2-6H2,1H3
InChIKeyREIPZEMPZNEXAU-UHFFFAOYSA-N
XLogP-0.14
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol?
The IUPAC name of 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol (CID 23315500) is 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol.
What is the SMILES notation for 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol?
The canonical SMILES for 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol is CNC1CCCC2(OCCO2)C1O.
What is the InChIKey of 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol?
The InChIKey is REIPZEMPZNEXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10-7-3-2-4-9(8(7)11)12-5-6-13-9/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol?
7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol has a molecular weight of 187.24 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol is sourced from PubChem (CID 23315500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).