2-(aminomethyl)-N'-hydroxybenzenecarboximidamide

C8H11N3O — CID 22358532

IUPAC2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
SMILESNCc1ccccc1/C(N)=N/O
InChIInChI=1S/C8H11N3O/c9-5-6-3-1-2-4-7(6)8(10)11-12/h1-4,12H,5,9H2,(H2,10,11)
InChIKeyDLIRYBQOVADYKV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.24
Rot. Bonds2

About 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide

2-(aminomethyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 22358532) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
PubChem CID22358532
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
SMILESNCc1ccccc1/C(N)=N/O
InChIInChI=1S/C8H11N3O/c9-5-6-3-1-2-4-7(6)8(10)11-12/h1-4,12H,5,9H2,(H2,10,11)
InChIKeyDLIRYBQOVADYKV-UHFFFAOYSA-N
XLogP0.24
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
CID 43128379
N',2-dihydroxybenzenecarboximidamide
CID 4227476
2-(aminomethyl)benzoyl chloride
CID 82503183
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
CID 106896370
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77055815
2-[(hexan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77028016
2-[(4-fluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 43187738
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185374

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide (CID 22358532) is 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide is NCc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is DLIRYBQOVADYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-5-6-3-1-2-4-7(6)8(10)11-12/h1-4,12H,5,9H2,(H2,10,11).
What are the key properties of 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide?
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 165.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 22358532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).