4-amino-2,7-dimethyloctane-3,6-dione

C10H19NO2 — CID 20871737

IUPAC4-amino-2,7-dimethyloctane-3,6-dione
SMILESCC(C)C(=O)CC(N)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)9(12)5-8(11)10(13)7(3)4/h6-8H,5,11H2,1-4H3
InChIKeyVGJVRQGXFXDRJC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.15
Rot. Bonds5

About 4-amino-2,7-dimethyloctane-3,6-dione

4-amino-2,7-dimethyloctane-3,6-dione (PubChem CID 20871737) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-amino-2,7-dimethyloctane-3,6-dione.

Molecular Properties

Compound Name4-amino-2,7-dimethyloctane-3,6-dione
PubChem CID20871737
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-amino-2,7-dimethyloctane-3,6-dione
SMILESCC(C)C(=O)CC(N)C(=O)C(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)9(12)5-8(11)10(13)7(3)4/h6-8H,5,11H2,1-4H3
InChIKeyVGJVRQGXFXDRJC-UHFFFAOYSA-N
XLogP1.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,7-dimethyloctane-3,6-dione?
The IUPAC name of 4-amino-2,7-dimethyloctane-3,6-dione (CID 20871737) is 4-amino-2,7-dimethyloctane-3,6-dione.
What is the SMILES notation for 4-amino-2,7-dimethyloctane-3,6-dione?
The canonical SMILES for 4-amino-2,7-dimethyloctane-3,6-dione is CC(C)C(=O)CC(N)C(=O)C(C)C.
What is the InChIKey of 4-amino-2,7-dimethyloctane-3,6-dione?
The InChIKey is VGJVRQGXFXDRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)9(12)5-8(11)10(13)7(3)4/h6-8H,5,11H2,1-4H3.
What are the key properties of 4-amino-2,7-dimethyloctane-3,6-dione?
4-amino-2,7-dimethyloctane-3,6-dione has a molecular weight of 185.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,7-dimethyloctane-3,6-dione is sourced from PubChem (CID 20871737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).