azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride

C10H24Cl2N2O — CID 175413934

IUPACazane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride
SMILESC=C(C)C(=O)CCC[N+](C)(C)C.Cl.N.[Cl-]
InChIInChI=1S/C10H20NO.2ClH.H3N/c1-9(2)10(12)7-6-8-11(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3/q+1;;;/p-1
InChIKeyGRUJWVVPOWHWCO-UHFFFAOYSA-M
MW259.22 g/mol
LogP-0.79
Rot. Bonds5

About azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride

azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride (PubChem CID 175413934) has the molecular formula C10H24Cl2N2O and a molecular weight of 259.22 g/mol. Its IUPAC name is azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride.

Molecular Properties

Compound Nameazane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride
PubChem CID175413934
Molecular FormulaC10H24Cl2N2O
Molecular Weight259.22 g/mol
Exact Mass258.13
IUPAC Nameazane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride
SMILESC=C(C)C(=O)CCC[N+](C)(C)C.Cl.N.[Cl-]
InChIInChI=1S/C10H20NO.2ClH.H3N/c1-9(2)10(12)7-6-8-11(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3/q+1;;;/p-1
InChIKeyGRUJWVVPOWHWCO-UHFFFAOYSA-M
XLogP-0.79
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(6-methyl-5-oxohept-6-enyl)azanium chloride
CID 159451714
bis(3-aminopropyl(trimethyl)azanium);2-methylprop-2-enoate;chloride
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trimethyl-(5-methyl-3,4-dioxohex-5-enyl)azanium
CID 19367479
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
CID 174627392
2-methyloct-1-en-3-one
CID 12585814
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
2-methyltridec-1-en-3-one
CID 91110358
2-methylhentriacont-1-en-3-one
CID 153436335
2-methylnonadec-1-en-3-one
CID 150628128
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
trimethyl-[16-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 22327734
ethane;2-methyldodec-1-en-3-one
CID 143443601

Frequently Asked Questions

What is the IUPAC name of azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride?
The IUPAC name of azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride (CID 175413934) is azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride.
What is the SMILES notation for azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride?
The canonical SMILES for azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride is C=C(C)C(=O)CCC[N+](C)(C)C.Cl.N.[Cl-].
What is the InChIKey of azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride?
The InChIKey is GRUJWVVPOWHWCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20NO.2ClH.H3N/c1-9(2)10(12)7-6-8-11(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride?
azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride has a molecular weight of 259.22 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl-(5-methyl-4-oxohex-5-enyl)azanium;chloride;hydrochloride is sourced from PubChem (CID 175413934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).