trimethylazanium cyanide

C4H10N2 — CID 21285275

IUPACtrimethylazanium cyanide
SMILESC[NH+](C)C.[C-]#N
InChIInChI=1S/C3H9N.CN/c1-4(2)3;1-2/h1-3H3;/q;-1/p+1
InChIKeySEEUAESSVMEHKD-UHFFFAOYSA-O
MW86.14 g/mol
LogP-1.14
Rot. Bonds

About trimethylazanium cyanide

trimethylazanium cyanide (PubChem CID 21285275) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is trimethylazanium cyanide.

Molecular Properties

Compound Nametrimethylazanium cyanide
PubChem CID21285275
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Nametrimethylazanium cyanide
SMILESC[NH+](C)C.[C-]#N
InChIInChI=1S/C3H9N.CN/c1-4(2)3;1-2/h1-3H3;/q;-1/p+1
InChIKeySEEUAESSVMEHKD-UHFFFAOYSA-O
XLogP-1.14
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylazanium cyanide?
The IUPAC name of trimethylazanium cyanide (CID 21285275) is trimethylazanium cyanide.
What is the SMILES notation for trimethylazanium cyanide?
The canonical SMILES for trimethylazanium cyanide is C[NH+](C)C.[C-]#N.
What is the InChIKey of trimethylazanium cyanide?
The InChIKey is SEEUAESSVMEHKD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.CN/c1-4(2)3;1-2/h1-3H3;/q;-1/p+1.
What are the key properties of trimethylazanium cyanide?
trimethylazanium cyanide has a molecular weight of 86.14 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylazanium cyanide is sourced from PubChem (CID 21285275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).