(1-amino-2,2-diethoxyethylidene)azanium chloride

C6H15ClN2O2 — CID 11367396

IUPAC(1-amino-2,2-diethoxyethylidene)azanium chloride
SMILESCCOC(OCC)C(N)=[NH2+].[Cl-]
InChIInChI=1S/C6H14N2O2.ClH/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H3,7,8);1H
InChIKeyBKCPVXSSIONVRZ-UHFFFAOYSA-N
MW182.65 g/mol
LogP-4.49
Rot. Bonds5

About (1-amino-2,2-diethoxyethylidene)azanium chloride

(1-amino-2,2-diethoxyethylidene)azanium chloride (PubChem CID 11367396) has the molecular formula C6H15ClN2O2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (1-amino-2,2-diethoxyethylidene)azanium chloride.

Molecular Properties

Compound Name(1-amino-2,2-diethoxyethylidene)azanium chloride
PubChem CID11367396
Molecular FormulaC6H15ClN2O2
Molecular Weight182.65 g/mol
Exact Mass182.08
IUPAC Name(1-amino-2,2-diethoxyethylidene)azanium chloride
SMILESCCOC(OCC)C(N)=[NH2+].[Cl-]
InChIInChI=1S/C6H14N2O2.ClH/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H3,7,8);1H
InChIKeyBKCPVXSSIONVRZ-UHFFFAOYSA-N
XLogP-4.49
TPSA70.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 5-4.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1-amino-2,2-diethoxyethylidene)azanium chloride 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 (1-amino-2,2-diethoxyethylidene)azanium chloride?
The IUPAC name of (1-amino-2,2-diethoxyethylidene)azanium chloride (CID 11367396) is (1-amino-2,2-diethoxyethylidene)azanium chloride.
What is the SMILES notation for (1-amino-2,2-diethoxyethylidene)azanium chloride?
The canonical SMILES for (1-amino-2,2-diethoxyethylidene)azanium chloride is CCOC(OCC)C(N)=[NH2+].[Cl-].
What is the InChIKey of (1-amino-2,2-diethoxyethylidene)azanium chloride?
The InChIKey is BKCPVXSSIONVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.ClH/c1-3-9-6(5(7)8)10-4-2;/h6H,3-4H2,1-2H3,(H3,7,8);1H.
What are the key properties of (1-amino-2,2-diethoxyethylidene)azanium chloride?
(1-amino-2,2-diethoxyethylidene)azanium chloride has a molecular weight of 182.65 g/mol, XLogP of -4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,2-diethoxyethylidene)azanium chloride is sourced from PubChem (CID 11367396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).