trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride

C10H22ClNO — CID 172695546

IUPACtrimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride
SMILESCC(C)=COCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H22NO.ClH/c1-10(2)9-12-8-6-7-11(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyCGRWIGKKGAWUFE-UHFFFAOYSA-M
MW207.74 g/mol
LogP-0.97
Rot. Bonds5

About trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride

trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride (PubChem CID 172695546) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride
PubChem CID172695546
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Nametrimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride
SMILESCC(C)=COCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H22NO.ClH/c1-10(2)9-12-8-6-7-11(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1
InChIKeyCGRWIGKKGAWUFE-UHFFFAOYSA-M
XLogP-0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride?
The IUPAC name of trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride (CID 172695546) is trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride?
The canonical SMILES for trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride is CC(C)=COCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride?
The InChIKey is CGRWIGKKGAWUFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO.ClH/c1-10(2)9-12-8-6-7-11(3,4)5;/h9H,6-8H2,1-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride?
trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride has a molecular weight of 207.74 g/mol, XLogP of -0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride is sourced from PubChem (CID 172695546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).