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'}

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Related Compounds

2-hydroxyimino-N,N-dimethyl-N'-pentylethanimidamide
CID 136598188
2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine
CID 11182393
3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine
CID 109498492
2-[4-(2-methoxyethoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111095275
3-amino-1-(2-methoxyethyl)-1,2-bis(3-methoxypropyl)guanidine
CID 104884958
3-amino-1-benzyl-2-(3-methoxypropyl)-1-methylguanidine
CID 116512961
N-(3-methoxypropyl)-3-phenoxypropanimidate
CID 145047903
3-amino-2-(3-methoxypropyl)-1-methyl-1-(2-methylsulfanylethyl)guanidine
CID 104888242
1-amino-3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxypropyl)guanidine
CID 104885248
1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
CID 63177169
3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878

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).