trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride

C11H22ClNO — CID 159451714

IUPACtrimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride
SMILESC=C(C)C(=O)CCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C11H22NO.ClH/c1-10(2)11(13)8-6-7-9-12(3,4)5;/h1,6-9H2,2-5H3;1H/q+1;/p-1
InChIKeyLMQYLJNJIQFMSM-UHFFFAOYSA-M
MW219.76 g/mol
LogP-0.99
Rot. Bonds6

About trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride

trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride (PubChem CID 159451714) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride
PubChem CID159451714
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Nametrimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride
SMILESC=C(C)C(=O)CCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C11H22NO.ClH/c1-10(2)11(13)8-6-7-9-12(3,4)5;/h1,6-9H2,2-5H3;1H/q+1;/p-1
InChIKeyLMQYLJNJIQFMSM-UHFFFAOYSA-M
XLogP-0.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride 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

azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride
CID 175413934
2-methyloct-1-en-3-one
CID 12585814
bis(3-aminopropyl(trimethyl)azanium);2-methylprop-2-enoate;chloride
CID 160769197
16-(trimethylazaniumyl)hexadecanoate
CID 172771890
2-methylhentriacont-1-en-3-one
CID 153436335
14-(trimethylazaniumyl)tetradecanoate
CID 172851889
2-methyltridec-1-en-3-one
CID 91110358
2-methylnonadec-1-en-3-one
CID 150628128
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
12-[dimethyl-(6-methyl-5-oxohept-6-enyl)azaniumyl]dodecyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium dibromide
CID 167613154
ethane;2-methyldodec-1-en-3-one
CID 143443601
trimethyl-(5-methyl-3,4-dioxohex-5-enyl)azanium
CID 19367479

Frequently Asked Questions

What is the IUPAC name of trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride?
The IUPAC name of trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride (CID 159451714) is trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride.
What is the SMILES notation for trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride?
The canonical SMILES for trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride is C=C(C)C(=O)CCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride?
The InChIKey is LMQYLJNJIQFMSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22NO.ClH/c1-10(2)11(13)8-6-7-9-12(3,4)5;/h1,6-9H2,2-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride?
trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride has a molecular weight of 219.76 g/mol, XLogP of -0.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride is sourced from PubChem (CID 159451714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).