2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide

C10H21N3O — CID 62360849

IUPAC2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCC(C)/N=C(\N)N1CC(C)OC(C)C1
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(11)13-5-8(3)14-9(4)6-13/h7-9H,5-6H2,1-4H3,(H2,11,12)
InChIKeyVNQWJMXWURJQIX-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds1

About 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide

2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide (PubChem CID 62360849) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide
PubChem CID62360849
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide
SMILESCC(C)/N=C(\N)N1CC(C)OC(C)C1
InChIInChI=1S/C10H21N3O/c1-7(2)12-10(11)13-5-8(3)14-9(4)6-13/h7-9H,5-6H2,1-4H3,(H2,11,12)
InChIKeyVNQWJMXWURJQIX-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
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 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The IUPAC name of 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide (CID 62360849) is 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The canonical SMILES for 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide is CC(C)/N=C(\N)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide?
The InChIKey is VNQWJMXWURJQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)12-10(11)13-5-8(3)14-9(4)6-13/h7-9H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide?
2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N'-propan-2-ylmorpholine-4-carboximidamide is sourced from PubChem (CID 62360849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).