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

C13H26N2O4 — CID 21492460

IUPAC3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine
SMILESNCCCC1(CCCN)OCOCC12COCOC2
InChIInChI=1S/C13H26N2O4/c14-5-1-3-13(4-2-6-15)12(9-18-11-19-13)7-16-10-17-8-12/h1-11,14-15H2
InChIKeyIHEZIYQHMLEFIB-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.20
Rot. Bonds6

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

3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine (PubChem CID 21492460) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine
PubChem CID21492460
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine
SMILESNCCCC1(CCCN)OCOCC12COCOC2
InChIInChI=1S/C13H26N2O4/c14-5-1-3-13(4-2-6-15)12(9-18-11-19-13)7-16-10-17-8-12/h1-11,14-15H2
InChIKeyIHEZIYQHMLEFIB-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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine (CID 21492460) is 3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine is NCCCC1(CCCN)OCOCC12COCOC2.
What is the InChIKey of 3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine?
The InChIKey is IHEZIYQHMLEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c14-5-1-3-13(4-2-6-15)12(9-18-11-19-13)7-16-10-17-8-12/h1-11,14-15H2.
What are the key properties of 3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine?
3-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-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-[5-(3-aminopropyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-5-yl]propan-1-amine is sourced from PubChem (CID 21492460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).