3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide

C10H21N3O — CID 43175005

IUPAC3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CC(C)OC(C)C1
InChIInChI=1S/C10H21N3O/c1-7(10(11)12)4-13-5-8(2)14-9(3)6-13/h7-9H,4-6H2,1-3H3,(H3,11,12)
InChIKeyUWBWLFYEVNFIDE-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.67
Rot. Bonds3

About 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide

3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide (PubChem CID 43175005) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide
PubChem CID43175005
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CC(C)OC(C)C1
InChIInChI=1S/C10H21N3O/c1-7(10(11)12)4-13-5-8(2)14-9(3)6-13/h7-9H,4-6H2,1-3H3,(H3,11,12)
InChIKeyUWBWLFYEVNFIDE-UHFFFAOYSA-N
XLogP0.67
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide (CID 43175005) is 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide?
The InChIKey is UWBWLFYEVNFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(10(11)12)4-13-5-8(2)14-9(3)6-13/h7-9H,4-6H2,1-3H3,(H3,11,12).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide?
3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-2-methylpropanimidamide is sourced from PubChem (CID 43175005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).