3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine

C13H26N2O4 — CID 14793592

IUPAC3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
SMILESNCCCC1COC2(OC1)OCC(CCCN)CO2
InChIInChI=1S/C13H26N2O4/c14-5-1-3-11-7-16-13(17-8-11)18-9-12(10-19-13)4-2-6-15/h11-12H,1-10,14-15H2
InChIKeyUQCRDXDMEIBGST-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.40
Rot. Bonds6

About 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine

3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine (PubChem CID 14793592) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
PubChem CID14793592
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
SMILESNCCCC1COC2(OC1)OCC(CCCN)CO2
InChIInChI=1S/C13H26N2O4/c14-5-1-3-11-7-16-13(17-8-11)18-9-12(10-19-13)4-2-6-15/h11-12H,1-10,14-15H2
InChIKeyUQCRDXDMEIBGST-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine?
The IUPAC name of 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine (CID 14793592) is 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine?
The canonical SMILES for 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine is NCCCC1COC2(OC1)OCC(CCCN)CO2.
What is the InChIKey of 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine?
The InChIKey is UQCRDXDMEIBGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c14-5-1-3-11-7-16-13(17-8-11)18-9-12(10-19-13)4-2-6-15/h11-12H,1-10,14-15H2.
What are the key properties of 3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine?
3-[3-(3-aminopropyl)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 0.40, 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)-1,5,7,11-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine is sourced from PubChem (CID 14793592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).