N'-cyano-N,N-dimethylethanimidamide

C5H9N3 — CID 15637835

IUPACN'-cyano-N,N-dimethylethanimidamide
SMILESC/C(=N\C#N)N(C)C
InChIInChI=1S/C5H9N3/c1-5(7-4-6)8(2)3/h1-3H3/b7-5+
InChIKeyYEEMHJNIVXNCSN-FNORWQNLSA-N
MW111.15 g/mol
LogP0.45
Rot. Bonds

About N'-cyano-N,N-dimethylethanimidamide

N'-cyano-N,N-dimethylethanimidamide (PubChem CID 15637835) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-cyano-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-cyano-N,N-dimethylethanimidamide
PubChem CID15637835
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-cyano-N,N-dimethylethanimidamide
SMILESC/C(=N\C#N)N(C)C
InChIInChI=1S/C5H9N3/c1-5(7-4-6)8(2)3/h1-3H3/b7-5+
InChIKeyYEEMHJNIVXNCSN-FNORWQNLSA-N
XLogP0.45
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyano-N,N-dimethylethanimidamide?
The IUPAC name of N'-cyano-N,N-dimethylethanimidamide (CID 15637835) is N'-cyano-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-cyano-N,N-dimethylethanimidamide?
The canonical SMILES for N'-cyano-N,N-dimethylethanimidamide is C/C(=N\C#N)N(C)C.
What is the InChIKey of N'-cyano-N,N-dimethylethanimidamide?
The InChIKey is YEEMHJNIVXNCSN-FNORWQNLSA-N. The full InChI is InChI=1S/C5H9N3/c1-5(7-4-6)8(2)3/h1-3H3/b7-5+.
What are the key properties of N'-cyano-N,N-dimethylethanimidamide?
N'-cyano-N,N-dimethylethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-N,N-dimethylethanimidamide is sourced from PubChem (CID 15637835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).