3-[methyl(oxan-4-yl)amino]propanimidamide

C9H19N3O — CID 43611262

IUPAC3-[methyl(oxan-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)C1CCOCC1
InChIInChI=1S/C9H19N3O/c1-12(5-2-9(10)11)8-3-6-13-7-4-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyREVLSKMGMWVHFA-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.42
Rot. Bonds4

About 3-[methyl(oxan-4-yl)amino]propanimidamide

3-[methyl(oxan-4-yl)amino]propanimidamide (PubChem CID 43611262) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[methyl(oxan-4-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(oxan-4-yl)amino]propanimidamide
PubChem CID43611262
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[methyl(oxan-4-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)C1CCOCC1
InChIInChI=1S/C9H19N3O/c1-12(5-2-9(10)11)8-3-6-13-7-4-8/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyREVLSKMGMWVHFA-UHFFFAOYSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.42
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 3-[methyl(oxan-4-yl)amino]propanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

3,3,3-Trifluoro-2-[[methyl(oxan-4-yl)amino]methyl]propanimidamide
CID 103370592
3-(4-Methoxypiperidin-1-yl)pentanimidamide
CID 43372991
N'-hydroxy-4-[methyl(oxan-4-yl)amino]butanimidamide
CID 43611239
N'-hydroxy-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611241
N'-hydroxy-3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611242
N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611243
2-[Methyl(oxan-4-yl)amino]ethanimidamide
CID 43611260
4-[Methyl(oxan-4-yl)amino]butanimidamide
CID 43611263
3-[Methyl(oxan-4-yl)amino]pentanimidamide
CID 43611267
2-Methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611268
3-(3-Ethylmorpholin-4-yl)propanimidamide
CID 43613276
3-(3-Ethylmorpholin-4-yl)pentanimidamide
CID 43613279

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-4-yl)amino]propanimidamide?
The IUPAC name of 3-[methyl(oxan-4-yl)amino]propanimidamide (CID 43611262) is 3-[methyl(oxan-4-yl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(oxan-4-yl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(oxan-4-yl)amino]propanimidamide is [H]/N=C(\N)CCN(C)C1CCOCC1.
What is the InChIKey of 3-[methyl(oxan-4-yl)amino]propanimidamide?
The InChIKey is REVLSKMGMWVHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(5-2-9(10)11)8-3-6-13-7-4-8/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 3-[methyl(oxan-4-yl)amino]propanimidamide?
3-[methyl(oxan-4-yl)amino]propanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-4-yl)amino]propanimidamide is sourced from PubChem (CID 43611262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).