N'-cyano-N,N-dimethylmorpholine-4-carboximidamide

C8H14N4O — CID 142073757

IUPACN'-cyano-N,N-dimethylmorpholine-4-carboximidamide
SMILESCN(C)/C(=N\C#N)N1CCOCC1
InChIInChI=1S/C8H14N4O/c1-11(2)8(10-7-9)12-3-5-13-6-4-12/h3-6H2,1-2H3/b10-8+
InChIKeyBJFDFRSFSUDZAC-CSKARUKUSA-N
MW182.23 g/mol
LogP-0.28
Rot. Bonds

About N'-cyano-N,N-dimethylmorpholine-4-carboximidamide

N'-cyano-N,N-dimethylmorpholine-4-carboximidamide (PubChem CID 142073757) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N'-cyano-N,N-dimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-cyano-N,N-dimethylmorpholine-4-carboximidamide
PubChem CID142073757
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN'-cyano-N,N-dimethylmorpholine-4-carboximidamide
SMILESCN(C)/C(=N\C#N)N1CCOCC1
InChIInChI=1S/C8H14N4O/c1-11(2)8(10-7-9)12-3-5-13-6-4-12/h3-6H2,1-2H3/b10-8+
InChIKeyBJFDFRSFSUDZAC-CSKARUKUSA-N
XLogP-0.28
TPSA51.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethylmorpholine-4-carboximidamide?
The IUPAC name of N'-cyano-N,N-dimethylmorpholine-4-carboximidamide (CID 142073757) is N'-cyano-N,N-dimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-cyano-N,N-dimethylmorpholine-4-carboximidamide?
The canonical SMILES for N'-cyano-N,N-dimethylmorpholine-4-carboximidamide is CN(C)/C(=N\C#N)N1CCOCC1.
What is the InChIKey of N'-cyano-N,N-dimethylmorpholine-4-carboximidamide?
The InChIKey is BJFDFRSFSUDZAC-CSKARUKUSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11(2)8(10-7-9)12-3-5-13-6-4-12/h3-6H2,1-2H3/b10-8+.
What are the key properties of N'-cyano-N,N-dimethylmorpholine-4-carboximidamide?
N'-cyano-N,N-dimethylmorpholine-4-carboximidamide has a molecular weight of 182.23 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-N,N-dimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 142073757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).