2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide

C12H19N3O2 — CID 77025252

IUPAC2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCOCCNCc1ccccc1C(N)=NO
InChIInChI=1S/C12H19N3O2/c1-2-17-8-7-14-9-10-5-3-4-6-11(10)12(13)15-16/h3-6,14,16H,2,7-9H2,1H3,(H2,13,15)
InChIKeyCXGAPOYZZTUYLM-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.91
Rot. Bonds7

About 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide

2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77025252) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77025252
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCOCCNCc1ccccc1C(N)=NO
InChIInChI=1S/C12H19N3O2/c1-2-17-8-7-14-9-10-5-3-4-6-11(10)12(13)15-16/h3-6,14,16H,2,7-9H2,1H3,(H2,13,15)
InChIKeyCXGAPOYZZTUYLM-UHFFFAOYSA-N
XLogP0.91
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
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

N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114942647
N-[2-[[2-(N'-hydroxycarbamimidoyl)phenyl]methylamino]ethyl]acetamide
CID 77027555
N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]benzenecarboximidamide
CID 77030623
N'-hydroxy-2-[(2-hydroxybutylamino)methyl]benzenecarboximidamide
CID 113492257
N'-hydroxy-2-[[3-(methanesulfonamido)propylamino]methyl]benzenecarboximidamide
CID 106339634
N'-hydroxy-2-[(3-methylbut-2-enylamino)methyl]benzenecarboximidamide
CID 114155961
2-fluoro-N'-hydroxy-3-[(3-propoxypropylamino)methyl]benzenecarboximidamide
CID 107117349
2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77055815
4-[(3-ethoxypropylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482681
N'-hydroxy-2-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzenecarboximidamide
CID 114515915
N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77026755

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77025252) is 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide is CCOCCNCc1ccccc1C(N)=NO.
What is the InChIKey of 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is CXGAPOYZZTUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-8-7-14-9-10-5-3-4-6-11(10)12(13)15-16/h3-6,14,16H,2,7-9H2,1H3,(H2,13,15).
What are the key properties of 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 237.30 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77025252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).