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

C10H22ClNO — CID 87436820

IUPACtrimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride
SMILESC=C(C)COC(C)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H22NO.ClH/c1-9(2)8-12-10(3)7-11(4,5)6;/h10H,1,7-8H2,2-6H3;1H/q+1;/p-1
InChIKeyBHLDKRXANVYJBX-UHFFFAOYSA-M
MW207.74 g/mol
LogP-1.32
Rot. Bonds5

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

trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride (PubChem CID 87436820) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride
PubChem CID87436820
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Nametrimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride
SMILESC=C(C)COC(C)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H22NO.ClH/c1-9(2)8-12-10(3)7-11(4,5)6;/h10H,1,7-8H2,2-6H3;1H/q+1;/p-1
InChIKeyBHLDKRXANVYJBX-UHFFFAOYSA-M
XLogP-1.32
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 ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-[2-(2-methylprop-2-enoxy)propyl]azanium chloride?
The IUPAC name of trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride (CID 87436820) is trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride?
The canonical SMILES for trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride is C=C(C)COC(C)C[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride?
The InChIKey is BHLDKRXANVYJBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22NO.ClH/c1-9(2)8-12-10(3)7-11(4,5)6;/h10H,1,7-8H2,2-6H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride?
trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride has a molecular weight of 207.74 g/mol, XLogP of -1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylprop-2-enoxy)propyl]azanium chloride is sourced from PubChem (CID 87436820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).