N'-benzyl-2-hydroxyethanimidamide

C9H12N2O — CID 90668671

IUPACN'-benzyl-2-hydroxyethanimidamide
SMILESN/C(CO)=N/Cc1ccccc1
InChIInChI=1S/C9H12N2O/c10-9(7-12)11-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11)
InChIKeyZDPPJMMPKZSNAJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.54
Rot. Bonds3

About N'-benzyl-2-hydroxyethanimidamide

N'-benzyl-2-hydroxyethanimidamide (PubChem CID 90668671) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N'-benzyl-2-hydroxyethanimidamide.

Molecular Properties

Compound NameN'-benzyl-2-hydroxyethanimidamide
PubChem CID90668671
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN'-benzyl-2-hydroxyethanimidamide
SMILESN/C(CO)=N/Cc1ccccc1
InChIInChI=1S/C9H12N2O/c10-9(7-12)11-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11)
InChIKeyZDPPJMMPKZSNAJ-UHFFFAOYSA-N
XLogP0.54
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-benzylpropanimidamide
CID 45122449
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033
2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
CID 155530379
2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061
2-benzyl-1-phenylguanidine
CID 12910062
2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 130557075
4-[(N'-benzylcarbamimidoyl)amino]-6-hydroxy-5-oxohexanoic acid
CID 143109073
2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 130557052
2-N'-benzyl-1-N',2-N-dihydroxyethanediimidamide
CID 137274391
N-benzyl-1,1-di(selenophen-2-yl)methanimine
CID 132543807
2-benzyl-1-(1-methylsulfanylpropan-2-yl)guanidine
CID 130557169
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-2-hydroxyethanimidamide?
The IUPAC name of N'-benzyl-2-hydroxyethanimidamide (CID 90668671) is N'-benzyl-2-hydroxyethanimidamide.
What is the SMILES notation for N'-benzyl-2-hydroxyethanimidamide?
The canonical SMILES for N'-benzyl-2-hydroxyethanimidamide is N/C(CO)=N/Cc1ccccc1.
What is the InChIKey of N'-benzyl-2-hydroxyethanimidamide?
The InChIKey is ZDPPJMMPKZSNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-9(7-12)11-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H2,10,11).
What are the key properties of N'-benzyl-2-hydroxyethanimidamide?
N'-benzyl-2-hydroxyethanimidamide has a molecular weight of 164.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-2-hydroxyethanimidamide is sourced from PubChem (CID 90668671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).