3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine

C13H26N2O4 — CID 67958566

IUPAC3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine
SMILESNCCCC1(CCCN)OCC2(COCOC2)CO1
InChIInChI=1S/C13H26N2O4/c14-5-1-3-13(4-2-6-15)18-9-12(10-19-13)7-16-11-17-8-12/h1-11,14-15H2
InChIKeyJGUSLQMZVMPXOC-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.20
Rot. Bonds6

About 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine

3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine (PubChem CID 67958566) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine
PubChem CID67958566
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine
SMILESNCCCC1(CCCN)OCC2(COCOC2)CO1
InChIInChI=1S/C13H26N2O4/c14-5-1-3-13(4-2-6-15)18-9-12(10-19-13)7-16-11-17-8-12/h1-11,14-15H2
InChIKeyJGUSLQMZVMPXOC-UHFFFAOYSA-N
XLogP0.20
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine 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-[2-(3-aminopropyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 54127430
3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine
CID 21492460
3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine
CID 22927346
4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one
CID 115064531
2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol
CID 141401236
3-(2,6,7-trioxabicyclo[2.2.2]octan-1-yl)propan-1-amine
CID 116986817
6-[[3-(6-aminohexoxy)-3,9-diethyl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]oxy]hexan-1-amine
CID 163957806
2-[3-[4-(hydroxymethyl)heptan-4-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]-2-propylpentan-1-ol
CID 67424952
5,5-dibutyl-1,3-dioxane
CID 139570230
2-[5-(2-hydroxyethyl)-1,3-dioxan-5-yl]ethanol
CID 126509303
[5-(hydroxymethyl)-2,2-di(undecyl)-1,3-dioxan-5-yl]methanol
CID 10961485
3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine
CID 116870061

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine?
The IUPAC name of 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine (CID 67958566) is 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine?
The canonical SMILES for 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine is NCCCC1(CCCN)OCC2(COCOC2)CO1.
What is the InChIKey of 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine?
The InChIKey is JGUSLQMZVMPXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c14-5-1-3-13(4-2-6-15)18-9-12(10-19-13)7-16-11-17-8-12/h1-11,14-15H2.
What are the key properties of 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine?
3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propan-1-amine is sourced from PubChem (CID 67958566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).