3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine

C10H19NO4 — CID 22927346

IUPAC3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine
SMILESNCCCC1OCOCC12COCOC2
InChIInChI=1S/C10H19NO4/c11-3-1-2-9-10(6-14-8-15-9)4-12-7-13-5-10/h9H,1-8,11H2
InChIKeyMDWCEEQVTZURSU-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.09
Rot. Bonds3

About 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine

3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine (PubChem CID 22927346) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine
PubChem CID22927346
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine
SMILESNCCCC1OCOCC12COCOC2
InChIInChI=1S/C10H19NO4/c11-3-1-2-9-10(6-14-8-15-9)4-12-7-13-5-10/h9H,1-8,11H2
InChIKeyMDWCEEQVTZURSU-UHFFFAOYSA-N
XLogP0.09
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine?
The IUPAC name of 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine (CID 22927346) is 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine?
The canonical SMILES for 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine is NCCCC1OCOCC12COCOC2.
What is the InChIKey of 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine?
The InChIKey is MDWCEEQVTZURSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c11-3-1-2-9-10(6-14-8-15-9)4-12-7-13-5-10/h9H,1-8,11H2.
What are the key properties of 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine?
3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine has a molecular weight of 217.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl)propan-1-amine is sourced from PubChem (CID 22927346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).