N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide

C8H14N4 — CID 123599170

IUPACN'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide
SMILESCN(C)/C(=N\C#N)N1CCCC1
InChIInChI=1S/C8H14N4/c1-11(2)8(10-7-9)12-5-3-4-6-12/h3-6H2,1-2H3/b10-8+
InChIKeyIWAZMAABMRZONW-CSKARUKUSA-N
MW166.23 g/mol
LogP0.48
Rot. Bonds

About N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide

N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide (PubChem CID 123599170) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide
PubChem CID123599170
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide
SMILESCN(C)/C(=N\C#N)N1CCCC1
InChIInChI=1S/C8H14N4/c1-11(2)8(10-7-9)12-5-3-4-6-12/h3-6H2,1-2H3/b10-8+
InChIKeyIWAZMAABMRZONW-CSKARUKUSA-N
XLogP0.48
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.48
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-dimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide (CID 123599170) is N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide is CN(C)/C(=N\C#N)N1CCCC1.
What is the InChIKey of N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide?
The InChIKey is IWAZMAABMRZONW-CSKARUKUSA-N. The full InChI is InChI=1S/C8H14N4/c1-11(2)8(10-7-9)12-5-3-4-6-12/h3-6H2,1-2H3/b10-8+.
What are the key properties of N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide?
N'-cyano-N,N-dimethylpyrrolidine-1-carboximidamide has a molecular weight of 166.23 g/mol, XLogP of 0.48, 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-dimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 123599170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).