dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride

C10H20ClNO2 — CID 87218103

IUPACdimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride
SMILESC=C(C)C(=O)OCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C10H19NO2.ClH/c1-9(2)10(12)13-8-6-5-7-11(3)4;/h1,5-8H2,2-4H3;1H
InChIKeyBDRYDRWWEGSKTF-UHFFFAOYSA-N
MW221.73 g/mol
LogP-2.97
Rot. Bonds6

About dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride

dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride (PubChem CID 87218103) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride
PubChem CID87218103
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namedimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride
SMILESC=C(C)C(=O)OCCCC[NH+](C)C.[Cl-]
InChIInChI=1S/C10H19NO2.ClH/c1-9(2)10(12)13-8-6-5-7-11(3)4;/h1,5-8H2,2-4H3;1H
InChIKeyBDRYDRWWEGSKTF-UHFFFAOYSA-N
XLogP-2.97
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 5-2.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride?
The IUPAC name of dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride (CID 87218103) is dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride.
What is the SMILES notation for dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride?
The canonical SMILES for dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride is C=C(C)C(=O)OCCCC[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride?
The InChIKey is BDRYDRWWEGSKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-9(2)10(12)13-8-6-5-7-11(3)4;/h1,5-8H2,2-4H3;1H.
What are the key properties of dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride?
dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride has a molecular weight of 221.73 g/mol, XLogP of -2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(2-methylprop-2-enoyloxy)butyl]azanium chloride is sourced from PubChem (CID 87218103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).