7-methyl-5-(propan-2-ylamino)octane-2,6-dione

C12H23NO2 — CID 59120335

IUPAC7-methyl-5-(propan-2-ylamino)octane-2,6-dione
SMILESCC(=O)CCC(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)12(15)11(13-9(3)4)7-6-10(5)14/h8-9,11,13H,6-7H2,1-5H3
InChIKeyOQZIGHRQQMUPLL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.95
Rot. Bonds7

About 7-methyl-5-(propan-2-ylamino)octane-2,6-dione

7-methyl-5-(propan-2-ylamino)octane-2,6-dione (PubChem CID 59120335) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 7-methyl-5-(propan-2-ylamino)octane-2,6-dione.

Molecular Properties

Compound Name7-methyl-5-(propan-2-ylamino)octane-2,6-dione
PubChem CID59120335
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name7-methyl-5-(propan-2-ylamino)octane-2,6-dione
SMILESCC(=O)CCC(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C12H23NO2/c1-8(2)12(15)11(13-9(3)4)7-6-10(5)14/h8-9,11,13H,6-7H2,1-5H3
InChIKeyOQZIGHRQQMUPLL-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(propan-2-ylamino)octane-2,6-dione?
The IUPAC name of 7-methyl-5-(propan-2-ylamino)octane-2,6-dione (CID 59120335) is 7-methyl-5-(propan-2-ylamino)octane-2,6-dione.
What is the SMILES notation for 7-methyl-5-(propan-2-ylamino)octane-2,6-dione?
The canonical SMILES for 7-methyl-5-(propan-2-ylamino)octane-2,6-dione is CC(=O)CCC(NC(C)C)C(=O)C(C)C.
What is the InChIKey of 7-methyl-5-(propan-2-ylamino)octane-2,6-dione?
The InChIKey is OQZIGHRQQMUPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)12(15)11(13-9(3)4)7-6-10(5)14/h8-9,11,13H,6-7H2,1-5H3.
What are the key properties of 7-methyl-5-(propan-2-ylamino)octane-2,6-dione?
7-methyl-5-(propan-2-ylamino)octane-2,6-dione has a molecular weight of 213.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(propan-2-ylamino)octane-2,6-dione is sourced from PubChem (CID 59120335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).