2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine

C13H26N2O4 — CID 70006319

IUPAC2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
SMILESCC(CN)C1OCC2(CO1)COC(C(C)CN)OC2
InChIInChI=1S/C13H26N2O4/c1-9(3-14)11-16-5-13(6-17-11)7-18-12(19-8-13)10(2)4-15/h9-12H,3-8,14-15H2,1-2H3
InChIKeyVOYHEIUJMYIALK-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.09
Rot. Bonds4

About 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine

2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine (PubChem CID 70006319) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
PubChem CID70006319
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine
SMILESCC(CN)C1OCC2(CO1)COC(C(C)CN)OC2
InChIInChI=1S/C13H26N2O4/c1-9(3-14)11-16-5-13(6-17-11)7-18-12(19-8-13)10(2)4-15/h9-12H,3-8,14-15H2,1-2H3
InChIKeyVOYHEIUJMYIALK-UHFFFAOYSA-N
XLogP-0.09
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine?
The IUPAC name of 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine (CID 70006319) is 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine.
What is the SMILES notation for 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine?
The canonical SMILES for 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine is CC(CN)C1OCC2(CO1)COC(C(C)CN)OC2.
What is the InChIKey of 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine?
The InChIKey is VOYHEIUJMYIALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-9(3-14)11-16-5-13(6-17-11)7-18-12(19-8-13)10(2)4-15/h9-12H,3-8,14-15H2,1-2H3.
What are the key properties of 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine?
2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine has a molecular weight of 274.36 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-amine is sourced from PubChem (CID 70006319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).