N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride

C5H14Cl2N2O — CID 172735964

IUPACN-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride
SMILESCCN(C)C(C)=NO.Cl.Cl
InChIInChI=1S/C5H12N2O.2ClH/c1-4-7(3)5(2)6-8;;/h8H,4H2,1-3H3;2*1H
InChIKeyILCIYECOGUQUSQ-UHFFFAOYSA-N
MW189.09 g/mol
LogP1.59
Rot. Bonds1

About N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride

N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride (PubChem CID 172735964) has the molecular formula C5H14Cl2N2O and a molecular weight of 189.09 g/mol. Its IUPAC name is N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride
PubChem CID172735964
Molecular FormulaC5H14Cl2N2O
Molecular Weight189.09 g/mol
Exact Mass188.05
IUPAC NameN-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride
SMILESCCN(C)C(C)=NO.Cl.Cl
InChIInChI=1S/C5H12N2O.2ClH/c1-4-7(3)5(2)6-8;;/h8H,4H2,1-3H3;2*1H
InChIKeyILCIYECOGUQUSQ-UHFFFAOYSA-N
XLogP1.59
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.09
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

N-ethyl-N-methyl-N'-(methylamino)ethanimidamide
CID 166786257
N'-hydroxy-N,N-dimethylethanimidamide
CID 6308604
1-(3-amino-3-hydroxyiminopropyl)-1,3-diethyl-3-methylurea
CID 79162393
1,3-diethyl-1,3-dimethylselenourea
CID 134989232
1-ethyl-1,2-dimethylguanidine
CID 21191499
1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide
CID 161359826
3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
CID 76919558
4-chloro-N-ethyl-N'-hydroxy-N-methylbenzenecarboximidamide
CID 134102209
1-ethyl-1,2-dimethylguanidine;methane
CID 158668223
1-cyclopropylidene-N-ethyl-N-methylethanamine
CID 123281199
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
N-ethyl-N-methylcarbamoyl bromide
CID 54570671

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride?
The IUPAC name of N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride (CID 172735964) is N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride.
What is the SMILES notation for N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride?
The canonical SMILES for N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride is CCN(C)C(C)=NO.Cl.Cl.
What is the InChIKey of N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride?
The InChIKey is ILCIYECOGUQUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.2ClH/c1-4-7(3)5(2)6-8;;/h8H,4H2,1-3H3;2*1H.
What are the key properties of N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride?
N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride has a molecular weight of 189.09 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-hydroxy-N-methylethanimidamide;dihydrochloride is sourced from PubChem (CID 172735964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).