methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium

C9H18NO2+ — CID 6984954

IUPACmethyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium
SMILESCC(=O)C[NH+](C)C(C)(C)C(C)=O
InChIInChI=1S/C9H17NO2/c1-7(11)6-10(5)9(3,4)8(2)12/h6H2,1-5H3/p+1
InChIKeyIYWXPSNRUUVXCS-UHFFFAOYSA-O
MW172.25 g/mol
LogP-0.54
Rot. Bonds4

About methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium

methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium (PubChem CID 6984954) has the molecular formula C9H18NO2+ and a molecular weight of 172.25 g/mol. Its IUPAC name is methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium.

Molecular Properties

Compound Namemethyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium
PubChem CID6984954
Molecular FormulaC9H18NO2+
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Namemethyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium
SMILESCC(=O)C[NH+](C)C(C)(C)C(C)=O
InChIInChI=1S/C9H17NO2/c1-7(11)6-10(5)9(3,4)8(2)12/h6H2,1-5H3/p+1
InChIKeyIYWXPSNRUUVXCS-UHFFFAOYSA-O
XLogP-0.54
TPSA38.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-3-methylhexane-2,5-dione
CID 12571378
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
2-hydroxyethyl-methyl-(2-oxopropyl)azanium chloride
CID 141048254
butan-2-one;dichlorocobalt
CID 158828987
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
CID 158035989
CID 158035989
3,3-diacetylhexane-2,5-dione;palladium(2+)
CID 21417779
4-hydroxy-4-methylpentan-2-one
CID 87257073
CID 159178711
CID 159178711
3,4-dihydroxy-3,4-dimethylhexane-2,5-dione
CID 538401
3-amino-3-methylbutan-2-one
CID 4913006
CID 58312499
CID 58312499

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium?
The IUPAC name of methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium (CID 6984954) is methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium.
What is the SMILES notation for methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium?
The canonical SMILES for methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium is CC(=O)C[NH+](C)C(C)(C)C(C)=O.
What is the InChIKey of methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium?
The InChIKey is IYWXPSNRUUVXCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO2/c1-7(11)6-10(5)9(3,4)8(2)12/h6H2,1-5H3/p+1.
What are the key properties of methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium?
methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium has a molecular weight of 172.25 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-3-oxobutan-2-yl)-(2-oxopropyl)azanium is sourced from PubChem (CID 6984954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).