N',2,6-trimethylmorpholine-4-carboximidamide

C8H17N3O — CID 62358592

IUPACN',2,6-trimethylmorpholine-4-carboximidamide
SMILESC/N=C(\N)N1CC(C)OC(C)C1
InChIInChI=1S/C8H17N3O/c1-6-4-11(8(9)10-3)5-7(2)12-6/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeySVGKKMGAASZRPA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.04
Rot. Bonds

About N',2,6-trimethylmorpholine-4-carboximidamide

N',2,6-trimethylmorpholine-4-carboximidamide (PubChem CID 62358592) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N',2,6-trimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN',2,6-trimethylmorpholine-4-carboximidamide
PubChem CID62358592
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN',2,6-trimethylmorpholine-4-carboximidamide
SMILESC/N=C(\N)N1CC(C)OC(C)C1
InChIInChI=1S/C8H17N3O/c1-6-4-11(8(9)10-3)5-7(2)12-6/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeySVGKKMGAASZRPA-UHFFFAOYSA-N
XLogP0.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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',2,6-trimethylmorpholine-4-carboximidamide?
The IUPAC name of N',2,6-trimethylmorpholine-4-carboximidamide (CID 62358592) is N',2,6-trimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N',2,6-trimethylmorpholine-4-carboximidamide?
The canonical SMILES for N',2,6-trimethylmorpholine-4-carboximidamide is C/N=C(\N)N1CC(C)OC(C)C1.
What is the InChIKey of N',2,6-trimethylmorpholine-4-carboximidamide?
The InChIKey is SVGKKMGAASZRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-4-11(8(9)10-3)5-7(2)12-6/h6-7H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of N',2,6-trimethylmorpholine-4-carboximidamide?
N',2,6-trimethylmorpholine-4-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,6-trimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 62358592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).