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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]propane-1,2-diol
CID 82850549
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-methylpropanoic acid
CID 65066992
N-methyl-N-(2-methylpentyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120008
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 103935271
1-[1,4-dioxaspiro[4.5]decan-8-yl(2-methylbutyl)amino]propan-2-ol
CID 91468434
N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120485
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233
N-methyl-N-(1,2-oxazol-5-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120082
2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide
CID 79118803
N-but-3-en-2-yl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120318
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 79119503

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).