cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride

C10H20Cl2N4 — CID 14548572

IUPACcyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride
SMILESC[N+](C)(CC#N)CC[N+](C)(C)CC#N.[Cl-].[Cl-]
InChIInChI=1S/C10H20N4.2ClH/c1-13(2,7-5-11)9-10-14(3,4)8-6-12;;/h7-10H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyPEAQGAMTTUOFJY-UHFFFAOYSA-L
MW267.20 g/mol
LogP-5.81
Rot. Bonds5

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

cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride (PubChem CID 14548572) has the molecular formula C10H20Cl2N4 and a molecular weight of 267.20 g/mol. Its IUPAC name is cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride.

Molecular Properties

Compound Namecyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride
PubChem CID14548572
Molecular FormulaC10H20Cl2N4
Molecular Weight267.20 g/mol
Exact Mass266.11
IUPAC Namecyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride
SMILESC[N+](C)(CC#N)CC[N+](C)(C)CC#N.[Cl-].[Cl-]
InChIInChI=1S/C10H20N4.2ClH/c1-13(2,7-5-11)9-10-14(3,4)8-6-12;;/h7-10H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyPEAQGAMTTUOFJY-UHFFFAOYSA-L
XLogP-5.81
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 5-5.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-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

Frequently Asked Questions

What is the IUPAC name of cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride?
The IUPAC name of cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride (CID 14548572) is cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride.
What is the SMILES notation for cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride?
The canonical SMILES for cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride is C[N+](C)(CC#N)CC[N+](C)(C)CC#N.[Cl-].[Cl-].
What is the InChIKey of cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride?
The InChIKey is PEAQGAMTTUOFJY-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H20N4.2ClH/c1-13(2,7-5-11)9-10-14(3,4)8-6-12;;/h7-10H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride?
cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride has a molecular weight of 267.20 g/mol, XLogP of -5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dichloride is sourced from PubChem (CID 14548572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).