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

C10H20N4+2 — CID 14548573

IUPACcyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium
SMILESC[N+](C)(CC#N)CC[N+](C)(C)CC#N
InChIInChI=1S/C10H20N4/c1-13(2,7-5-11)9-10-14(3,4)8-6-12/h7-10H2,1-4H3/q+2
InChIKeyOYBFGPQJPHTSNP-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.19
Rot. Bonds5

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

cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium (PubChem CID 14548573) has the molecular formula C10H20N4+2 and a molecular weight of 196.30 g/mol. Its IUPAC name is cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium.

Molecular Properties

Compound Namecyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium
PubChem CID14548573
Molecular FormulaC10H20N4+2
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Namecyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium
SMILESC[N+](C)(CC#N)CC[N+](C)(C)CC#N
InChIInChI=1S/C10H20N4/c1-13(2,7-5-11)9-10-14(3,4)8-6-12/h7-10H2,1-4H3/q+2
InChIKeyOYBFGPQJPHTSNP-UHFFFAOYSA-N
XLogP0.19
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.19
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'}

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Frequently Asked Questions

What is the IUPAC name of cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium?
The IUPAC name of cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium (CID 14548573) is cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium.
What is the SMILES notation for cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium?
The canonical SMILES for cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium is C[N+](C)(CC#N)CC[N+](C)(C)CC#N.
What is the InChIKey of cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium?
The InChIKey is OYBFGPQJPHTSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-13(2,7-5-11)9-10-14(3,4)8-6-12/h7-10H2,1-4H3/q+2.
What are the key properties of cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium?
cyanomethyl-[2-[cyanomethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium has a molecular weight of 196.30 g/mol, XLogP of 0.19, 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 is sourced from PubChem (CID 14548573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).