1-amino-12-methoxytridecane-3,6,9-trione

C14H25NO4 — CID 163931257

IUPAC1-amino-12-methoxytridecane-3,6,9-trione
SMILESCOC(C)CCC(=O)CCC(=O)CCC(=O)CCN
InChIInChI=1S/C14H25NO4/c1-11(19-2)3-4-12(16)5-6-13(17)7-8-14(18)9-10-15/h11H,3-10,15H2,1-2H3
InChIKeyRIWBLEJTAXCQES-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.42
Rot. Bonds12

About 1-amino-12-methoxytridecane-3,6,9-trione

1-amino-12-methoxytridecane-3,6,9-trione (PubChem CID 163931257) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-amino-12-methoxytridecane-3,6,9-trione.

Molecular Properties

Compound Name1-amino-12-methoxytridecane-3,6,9-trione
PubChem CID163931257
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-amino-12-methoxytridecane-3,6,9-trione
SMILESCOC(C)CCC(=O)CCC(=O)CCC(=O)CCN
InChIInChI=1S/C14H25NO4/c1-11(19-2)3-4-12(16)5-6-13(17)7-8-14(18)9-10-15/h11H,3-10,15H2,1-2H3
InChIKeyRIWBLEJTAXCQES-UHFFFAOYSA-N
XLogP1.42
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-12-methoxytridecane-3,6,9-trione?
The IUPAC name of 1-amino-12-methoxytridecane-3,6,9-trione (CID 163931257) is 1-amino-12-methoxytridecane-3,6,9-trione.
What is the SMILES notation for 1-amino-12-methoxytridecane-3,6,9-trione?
The canonical SMILES for 1-amino-12-methoxytridecane-3,6,9-trione is COC(C)CCC(=O)CCC(=O)CCC(=O)CCN.
What is the InChIKey of 1-amino-12-methoxytridecane-3,6,9-trione?
The InChIKey is RIWBLEJTAXCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(19-2)3-4-12(16)5-6-13(17)7-8-14(18)9-10-15/h11H,3-10,15H2,1-2H3.
What are the key properties of 1-amino-12-methoxytridecane-3,6,9-trione?
1-amino-12-methoxytridecane-3,6,9-trione has a molecular weight of 271.36 g/mol, XLogP of 1.42, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-12-methoxytridecane-3,6,9-trione is sourced from PubChem (CID 163931257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).