11-(methylamino)-1-propoxyundecane-4,7-dione

C15H29NO3 — CID 160936596

IUPAC11-(methylamino)-1-propoxyundecane-4,7-dione
SMILESCCCOCCCC(=O)CCC(=O)CCCCNC
InChIInChI=1S/C15H29NO3/c1-3-12-19-13-6-8-15(18)10-9-14(17)7-4-5-11-16-2/h16H,3-13H2,1-2H3
InChIKeySTYOXTADKMLKMT-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.50
Rot. Bonds14

About 11-(methylamino)-1-propoxyundecane-4,7-dione

11-(methylamino)-1-propoxyundecane-4,7-dione (PubChem CID 160936596) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 11-(methylamino)-1-propoxyundecane-4,7-dione.

Molecular Properties

Compound Name11-(methylamino)-1-propoxyundecane-4,7-dione
PubChem CID160936596
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name11-(methylamino)-1-propoxyundecane-4,7-dione
SMILESCCCOCCCC(=O)CCC(=O)CCCCNC
InChIInChI=1S/C15H29NO3/c1-3-12-19-13-6-8-15(18)10-9-14(17)7-4-5-11-16-2/h16H,3-13H2,1-2H3
InChIKeySTYOXTADKMLKMT-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(methylamino)-1-propoxyundecane-4,7-dione?
The IUPAC name of 11-(methylamino)-1-propoxyundecane-4,7-dione (CID 160936596) is 11-(methylamino)-1-propoxyundecane-4,7-dione.
What is the SMILES notation for 11-(methylamino)-1-propoxyundecane-4,7-dione?
The canonical SMILES for 11-(methylamino)-1-propoxyundecane-4,7-dione is CCCOCCCC(=O)CCC(=O)CCCCNC.
What is the InChIKey of 11-(methylamino)-1-propoxyundecane-4,7-dione?
The InChIKey is STYOXTADKMLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-12-19-13-6-8-15(18)10-9-14(17)7-4-5-11-16-2/h16H,3-13H2,1-2H3.
What are the key properties of 11-(methylamino)-1-propoxyundecane-4,7-dione?
11-(methylamino)-1-propoxyundecane-4,7-dione has a molecular weight of 271.40 g/mol, XLogP of 2.50, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(methylamino)-1-propoxyundecane-4,7-dione is sourced from PubChem (CID 160936596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).