1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol

C12H23NO3 — CID 79119752

IUPAC1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO3/c1-10(14)9-13(2)11-3-5-12(6-4-11)15-7-8-16-12/h10-11,14H,3-9H2,1-2H3
InChIKeyGMCMIGHYAJWQMO-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.98
Rot. Bonds3

About 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol

1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol (PubChem CID 79119752) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol
PubChem CID79119752
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO3/c1-10(14)9-13(2)11-3-5-12(6-4-11)15-7-8-16-12/h10-11,14H,3-9H2,1-2H3
InChIKeyGMCMIGHYAJWQMO-UHFFFAOYSA-N
XLogP0.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol (CID 79119752) is 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol is CC(O)CN(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol?
The InChIKey is GMCMIGHYAJWQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(14)9-13(2)11-3-5-12(6-4-11)15-7-8-16-12/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol?
1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol has a molecular weight of 229.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propan-2-ol is sourced from PubChem (CID 79119752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).