2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride

C12H30Cl2N2O — CID 122130603

IUPAC2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride
SMILESCCC[N+](C)(C)CC[N+](C)(C)CCOC.[Cl-].[Cl-]
InChIInChI=1S/C12H30N2O.2ClH/c1-7-8-13(2,3)9-10-14(4,5)11-12-15-6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyAKMCUEHNXUJTGW-UHFFFAOYSA-L
MW289.29 g/mol
LogP-4.80
Rot. Bonds8

About 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride

2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride (PubChem CID 122130603) has the molecular formula C12H30Cl2N2O and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride.

Molecular Properties

Compound Name2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride
PubChem CID122130603
Molecular FormulaC12H30Cl2N2O
Molecular Weight289.29 g/mol
Exact Mass288.17
IUPAC Name2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride
SMILESCCC[N+](C)(C)CC[N+](C)(C)CCOC.[Cl-].[Cl-]
InChIInChI=1S/C12H30N2O.2ClH/c1-7-8-13(2,3)9-10-14(4,5)11-12-15-6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2
InChIKeyAKMCUEHNXUJTGW-UHFFFAOYSA-L
XLogP-4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-4.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride with MolForge

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

Launch Full Analysis

Related Compounds

CID 58715651
CID 58715651
CID 59535628
CID 59535628
CID 58581236
CID 58581236
CID 155574501
CID 155574501
CID 129657689
CID 129657689
CID 22833504
CID 22833504
CID 13608868
CID 13608868
CID 18347181
CID 18347181
CID 18727981
CID 18727981
CID 21057636
CID 21057636
CID 44791078
CID 44791078
CID 57580065
CID 57580065

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride?
The IUPAC name of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride (CID 122130603) is 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride.
What is the SMILES notation for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride?
The canonical SMILES for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride is CCC[N+](C)(C)CC[N+](C)(C)CCOC.[Cl-].[Cl-].
What is the InChIKey of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride?
The InChIKey is AKMCUEHNXUJTGW-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H30N2O.2ClH/c1-7-8-13(2,3)9-10-14(4,5)11-12-15-6;;/h7-12H2,1-6H3;2*1H/q+2;;/p-2.
What are the key properties of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride?
2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride has a molecular weight of 289.29 g/mol, XLogP of -4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium dichloride is sourced from PubChem (CID 122130603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).