2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide

C9H19N3O — CID 43367844

IUPAC2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOC(C)C1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)5-12-3-4-13-8(2)6-12/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyOACDLXYVCSARQF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.28
Rot. Bonds3

About 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide

2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide (PubChem CID 43367844) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide
PubChem CID43367844
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOC(C)C1
InChIInChI=1S/C9H19N3O/c1-7(9(10)11)5-12-3-4-13-8(2)6-12/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyOACDLXYVCSARQF-UHFFFAOYSA-N
XLogP0.28
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.28
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'}

Analyze 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide?
The IUPAC name of 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide (CID 43367844) is 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide.
What is the SMILES notation for 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide?
The canonical SMILES for 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide is [H]/N=C(\N)C(C)CN1CCOC(C)C1.
What is the InChIKey of 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide?
The InChIKey is OACDLXYVCSARQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(9(10)11)5-12-3-4-13-8(2)6-12/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide?
2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylmorpholin-4-yl)propanimidamide is sourced from PubChem (CID 43367844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).