trimethyl-(4-methyl-2-oxopentyl)azanium

C9H20NO+ — CID 14787203

IUPACtrimethyl-(4-methyl-2-oxopentyl)azanium
SMILESCC(C)CC(=O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-8(2)6-9(11)7-10(3,4)5/h8H,6-7H2,1-5H3/q+1
InChIKeyJWAPWVVUHLDXQZ-UHFFFAOYSA-N
MW158.26 g/mol
LogP1.31
Rot. Bonds4

About trimethyl-(4-methyl-2-oxopentyl)azanium

trimethyl-(4-methyl-2-oxopentyl)azanium (PubChem CID 14787203) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is trimethyl-(4-methyl-2-oxopentyl)azanium.

Molecular Properties

Compound Nametrimethyl-(4-methyl-2-oxopentyl)azanium
PubChem CID14787203
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nametrimethyl-(4-methyl-2-oxopentyl)azanium
SMILESCC(C)CC(=O)C[N+](C)(C)C
InChIInChI=1S/C9H20NO/c1-8(2)6-9(11)7-10(3,4)5/h8H,6-7H2,1-5H3/q+1
InChIKeyJWAPWVVUHLDXQZ-UHFFFAOYSA-N
XLogP1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(4,8-dimethyl-2,6-dioxononyl)-[2-[(4,8-dimethyl-2,6-dioxononyl)-dimethylazaniumyl]ethyl]-dimethylazanium
CID 122204638
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
1-hydroxy-2,6-dimethylheptan-4-one
CID 157270370
1-methoxy-4-methylpentan-2-one
CID 13108539
5-methyl-3-oxohexanamide
CID 140847068
4-methylpentan-2-one;propane
CID 22138072
2,6-dimethylheptan-4-one;2,2,6-trimethylheptan-4-one
CID 167674911
2,6-dimethylheptan-4-one;1,4-xylene
CID 70503285
5-methyl-1-(5-methyl-3-oxohexoxy)hexan-3-one
CID 57139233
1-dimethylphosphoryl-4-methylpentan-2-one
CID 20584312
3-methylbutanoic acid
CID 20849036

Frequently Asked Questions

What is the IUPAC name of trimethyl-(4-methyl-2-oxopentyl)azanium?
The IUPAC name of trimethyl-(4-methyl-2-oxopentyl)azanium (CID 14787203) is trimethyl-(4-methyl-2-oxopentyl)azanium.
What is the SMILES notation for trimethyl-(4-methyl-2-oxopentyl)azanium?
The canonical SMILES for trimethyl-(4-methyl-2-oxopentyl)azanium is CC(C)CC(=O)C[N+](C)(C)C.
What is the InChIKey of trimethyl-(4-methyl-2-oxopentyl)azanium?
The InChIKey is JWAPWVVUHLDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO/c1-8(2)6-9(11)7-10(3,4)5/h8H,6-7H2,1-5H3/q+1.
What are the key properties of trimethyl-(4-methyl-2-oxopentyl)azanium?
trimethyl-(4-methyl-2-oxopentyl)azanium has a molecular weight of 158.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-methyl-2-oxopentyl)azanium is sourced from PubChem (CID 14787203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).