6-amino-2,2,9-trimethyldecane-3,7-dione

C13H25NO2 — CID 166970989

IUPAC6-amino-2,2,9-trimethyldecane-3,7-dione
SMILESCC(C)CC(=O)C(N)CCC(=O)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)8-11(15)10(14)6-7-12(16)13(3,4)5/h9-10H,6-8,14H2,1-5H3
InChIKeyHLTYRQFCBWQJFO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.32
Rot. Bonds6

About 6-amino-2,2,9-trimethyldecane-3,7-dione

6-amino-2,2,9-trimethyldecane-3,7-dione (PubChem CID 166970989) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 6-amino-2,2,9-trimethyldecane-3,7-dione.

Molecular Properties

Compound Name6-amino-2,2,9-trimethyldecane-3,7-dione
PubChem CID166970989
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name6-amino-2,2,9-trimethyldecane-3,7-dione
SMILESCC(C)CC(=O)C(N)CCC(=O)C(C)(C)C
InChIInChI=1S/C13H25NO2/c1-9(2)8-11(15)10(14)6-7-12(16)13(3,4)5/h9-10H,6-8,14H2,1-5H3
InChIKeyHLTYRQFCBWQJFO-UHFFFAOYSA-N
XLogP2.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6,6-dimethyl-5-oxoheptanethioic S-acid
CID 137434901
2-amino-1-hydroxy-5-methylhexan-3-one
CID 116920589
2,7-dimethyloctan-4-one;3-methyl-N-propan-2-ylbutanamide;2,2,6-trimethylheptan-3-one
CID 158719628
2-amino-2,6-dimethylheptan-3-one
CID 116560063
(2R)-6,6-dimethyl-5-oxo-2-propan-2-ylheptanal
CID 10997984
bis(2,2,7-trimethyloctane-3,5-dione);zinc
CID 159095864
6-hydroxy-2,2-dimethyloctan-3-one
CID 79428610
2-amino-6,6-dimethyl-5-oxooctanoic acid
CID 126684386
6-amino-3-methylnonan-5-one
CID 116554552
(4S)-4-amino-6,6-dimethyl-5-oxoheptanoic acid;sulfane
CID 158948664
methyl 2-amino-5,5-dimethyl-4-oxohexanoate;hydrochloride
CID 105481491
2-amino-2,3,3,6-tetramethylheptan-4-one
CID 116573551

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2,9-trimethyldecane-3,7-dione?
The IUPAC name of 6-amino-2,2,9-trimethyldecane-3,7-dione (CID 166970989) is 6-amino-2,2,9-trimethyldecane-3,7-dione.
What is the SMILES notation for 6-amino-2,2,9-trimethyldecane-3,7-dione?
The canonical SMILES for 6-amino-2,2,9-trimethyldecane-3,7-dione is CC(C)CC(=O)C(N)CCC(=O)C(C)(C)C.
What is the InChIKey of 6-amino-2,2,9-trimethyldecane-3,7-dione?
The InChIKey is HLTYRQFCBWQJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)8-11(15)10(14)6-7-12(16)13(3,4)5/h9-10H,6-8,14H2,1-5H3.
What are the key properties of 6-amino-2,2,9-trimethyldecane-3,7-dione?
6-amino-2,2,9-trimethyldecane-3,7-dione has a molecular weight of 227.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,2,9-trimethyldecane-3,7-dione is sourced from PubChem (CID 166970989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).