2-[methyl(oxan-4-yl)amino]ethanimidamide

C8H17N3O — CID 43611260

IUPAC2-[methyl(oxan-4-yl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)C1CCOCC1
InChIInChI=1S/C8H17N3O/c1-11(6-8(9)10)7-2-4-12-5-3-7/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyDKJSSPWDHYEYBP-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.03
Rot. Bonds3

About 2-[methyl(oxan-4-yl)amino]ethanimidamide

2-[methyl(oxan-4-yl)amino]ethanimidamide (PubChem CID 43611260) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]ethanimidamide
PubChem CID43611260
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[methyl(oxan-4-yl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)C1CCOCC1
InChIInChI=1S/C8H17N3O/c1-11(6-8(9)10)7-2-4-12-5-3-7/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyDKJSSPWDHYEYBP-UHFFFAOYSA-N
XLogP0.03
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.03
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(oxan-4-yl)amino]ethanimidamide 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

N'-hydroxy-2-[methyl(oxan-4-yl)amino]ethanimidamide
CID 43611238
3-[Methyl(oxan-4-yl)amino]propanimidamide
CID 43611262
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
2-(3-Ethylmorpholin-4-yl)ethanimidamide
CID 43613274
3-[Methyl(oxan-4-yl)amino]butanimidamide
CID 60914349
5-[Methyl(oxan-4-yl)amino]pentanimidamide
CID 61524349
N'-hydroxy-2-[methyl(oxan-4-yl)amino]propanimidamide
CID 61691407
2-(4-Ethoxypiperidin-1-yl)propanimidamide
CID 61691512
2-[Methyl(oxan-4-yl)amino]propanimidamide
CID 61692216
2-(3-Ethylmorpholin-4-yl)propanimidamide
CID 61692278

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]ethanimidamide (CID 43611260) is 2-[methyl(oxan-4-yl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]ethanimidamide is [H]/N=C(\N)CN(C)C1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]ethanimidamide?
The InChIKey is DKJSSPWDHYEYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11(6-8(9)10)7-2-4-12-5-3-7/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 2-[methyl(oxan-4-yl)amino]ethanimidamide?
2-[methyl(oxan-4-yl)amino]ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]ethanimidamide is sourced from PubChem (CID 43611260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).