4-amino-2,8-dimethylnonane-3,7-dione

C11H21NO2 — CID 90394699

IUPAC4-amino-2,8-dimethylnonane-3,7-dione
SMILESCC(C)C(=O)CCC(N)C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)10(13)6-5-9(12)11(14)8(3)4/h7-9H,5-6,12H2,1-4H3
InChIKeyXRJLHTYZIQKJJK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.54
Rot. Bonds6

About 4-amino-2,8-dimethylnonane-3,7-dione

4-amino-2,8-dimethylnonane-3,7-dione (PubChem CID 90394699) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-amino-2,8-dimethylnonane-3,7-dione.

Molecular Properties

Compound Name4-amino-2,8-dimethylnonane-3,7-dione
PubChem CID90394699
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-amino-2,8-dimethylnonane-3,7-dione
SMILESCC(C)C(=O)CCC(N)C(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)10(13)6-5-9(12)11(14)8(3)4/h7-9H,5-6,12H2,1-4H3
InChIKeyXRJLHTYZIQKJJK-UHFFFAOYSA-N
XLogP1.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,8-dimethylnonane-3,7-dione?
The IUPAC name of 4-amino-2,8-dimethylnonane-3,7-dione (CID 90394699) is 4-amino-2,8-dimethylnonane-3,7-dione.
What is the SMILES notation for 4-amino-2,8-dimethylnonane-3,7-dione?
The canonical SMILES for 4-amino-2,8-dimethylnonane-3,7-dione is CC(C)C(=O)CCC(N)C(=O)C(C)C.
What is the InChIKey of 4-amino-2,8-dimethylnonane-3,7-dione?
The InChIKey is XRJLHTYZIQKJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)10(13)6-5-9(12)11(14)8(3)4/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 4-amino-2,8-dimethylnonane-3,7-dione?
4-amino-2,8-dimethylnonane-3,7-dione has a molecular weight of 199.29 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,8-dimethylnonane-3,7-dione is sourced from PubChem (CID 90394699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).