4,5-diethoxynonane-1,6-diamine

C13H30N2O2 — CID 56985529

IUPAC4,5-diethoxynonane-1,6-diamine
SMILESCCCC(N)C(OCC)C(CCCN)OCC
InChIInChI=1S/C13H30N2O2/c1-4-8-11(15)13(17-6-3)12(16-5-2)9-7-10-14/h11-13H,4-10,14-15H2,1-3H3
InChIKeyLGVWISSZYAVJNN-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.66
Rot. Bonds11

About 4,5-diethoxynonane-1,6-diamine

4,5-diethoxynonane-1,6-diamine (PubChem CID 56985529) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 4,5-diethoxynonane-1,6-diamine.

Molecular Properties

Compound Name4,5-diethoxynonane-1,6-diamine
PubChem CID56985529
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name4,5-diethoxynonane-1,6-diamine
SMILESCCCC(N)C(OCC)C(CCCN)OCC
InChIInChI=1S/C13H30N2O2/c1-4-8-11(15)13(17-6-3)12(16-5-2)9-7-10-14/h11-13H,4-10,14-15H2,1-3H3
InChIKeyLGVWISSZYAVJNN-UHFFFAOYSA-N
XLogP1.66
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethoxynonane-1,6-diamine?
The IUPAC name of 4,5-diethoxynonane-1,6-diamine (CID 56985529) is 4,5-diethoxynonane-1,6-diamine.
What is the SMILES notation for 4,5-diethoxynonane-1,6-diamine?
The canonical SMILES for 4,5-diethoxynonane-1,6-diamine is CCCC(N)C(OCC)C(CCCN)OCC.
What is the InChIKey of 4,5-diethoxynonane-1,6-diamine?
The InChIKey is LGVWISSZYAVJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-4-8-11(15)13(17-6-3)12(16-5-2)9-7-10-14/h11-13H,4-10,14-15H2,1-3H3.
What are the key properties of 4,5-diethoxynonane-1,6-diamine?
4,5-diethoxynonane-1,6-diamine has a molecular weight of 246.39 g/mol, XLogP of 1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethoxynonane-1,6-diamine is sourced from PubChem (CID 56985529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).