(2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide

C9H16N4O — CID 7171861

IUPAC(2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide
SMILESC/N=C(\NC#N)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H16N4O/c1-7-4-13(5-8(2)14-7)9(11-3)12-6-10/h7-8H,4-5H2,1-3H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyOHMLWMGLYFSKRK-YUMQZZPRSA-N
MW196.25 g/mol
LogP0.15
Rot. Bonds

About (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide

(2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide (PubChem CID 7171861) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name(2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide
PubChem CID7171861
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide
SMILESC/N=C(\NC#N)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H16N4O/c1-7-4-13(5-8(2)14-7)9(11-3)12-6-10/h7-8H,4-5H2,1-3H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyOHMLWMGLYFSKRK-YUMQZZPRSA-N
XLogP0.15
TPSA60.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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 (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide?
The IUPAC name of (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide (CID 7171861) is (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide.
What is the SMILES notation for (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide?
The canonical SMILES for (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide is C/N=C(\NC#N)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide?
The InChIKey is OHMLWMGLYFSKRK-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-4-13(5-8(2)14-7)9(11-3)12-6-10/h7-8H,4-5H2,1-3H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide?
(2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide has a molecular weight of 196.25 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-cyano-N',2,6-trimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 7171861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).