dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride

C10H21ClN2O — CID 10192685

IUPACdimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride
SMILESC=C(C)C(=O)NC[N+](C)(C)CCC.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-6-7-12(4,5)8-11-10(13)9(2)3;/h2,6-8H2,1,3-5H3;1H
InChIKeyIHLOPRJQBJIRHX-UHFFFAOYSA-N
MW220.74 g/mol
LogP-1.87
Rot. Bonds5

About dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride

dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride (PubChem CID 10192685) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride.

Molecular Properties

Compound Namedimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride
PubChem CID10192685
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Namedimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride
SMILESC=C(C)C(=O)NC[N+](C)(C)CCC.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-6-7-12(4,5)8-11-10(13)9(2)3;/h2,6-8H2,1,3-5H3;1H
InChIKeyIHLOPRJQBJIRHX-UHFFFAOYSA-N
XLogP-1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride?
The IUPAC name of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride (CID 10192685) is dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride.
What is the SMILES notation for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride?
The canonical SMILES for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride is C=C(C)C(=O)NC[N+](C)(C)CCC.[Cl-].
What is the InChIKey of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride?
The InChIKey is IHLOPRJQBJIRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-6-7-12(4,5)8-11-10(13)9(2)3;/h2,6-8H2,1,3-5H3;1H.
What are the key properties of dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride?
dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride has a molecular weight of 220.74 g/mol, XLogP of -1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2-methylprop-2-enoylamino)methyl]-propylazanium chloride is sourced from PubChem (CID 10192685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).