2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride

C8H18ClN3O2 — CID 136598189

IUPAC2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride
SMILESCOCCC/N=C(/C=NO)N(C)C.Cl
InChIInChI=1S/C8H17N3O2.ClH/c1-11(2)8(7-10-12)9-5-4-6-13-3;/h7,12H,4-6H2,1-3H3;1H/b9-8-,10-7?;
InChIKeyRCGQIGKXULZETI-QLBANCNYSA-N
MW223.70 g/mol
LogP0.86
Rot. Bonds5

About 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride

2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride (PubChem CID 136598189) has the molecular formula C8H18ClN3O2 and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride
PubChem CID136598189
Molecular FormulaC8H18ClN3O2
Molecular Weight223.70 g/mol
Exact Mass223.11
IUPAC Name2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride
SMILESCOCCC/N=C(/C=NO)N(C)C.Cl
InChIInChI=1S/C8H17N3O2.ClH/c1-11(2)8(7-10-12)9-5-4-6-13-3;/h7,12H,4-6H2,1-3H3;1H/b9-8-,10-7?;
InChIKeyRCGQIGKXULZETI-QLBANCNYSA-N
XLogP0.86
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride 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-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride?
The IUPAC name of 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride (CID 136598189) is 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride.
What is the SMILES notation for 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride?
The canonical SMILES for 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride is COCCC/N=C(/C=NO)N(C)C.Cl.
What is the InChIKey of 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride?
The InChIKey is RCGQIGKXULZETI-QLBANCNYSA-N. The full InChI is InChI=1S/C8H17N3O2.ClH/c1-11(2)8(7-10-12)9-5-4-6-13-3;/h7,12H,4-6H2,1-3H3;1H/b9-8-,10-7?;.
What are the key properties of 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride?
2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride is sourced from PubChem (CID 136598189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).