N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide

C12H18N2O2 — CID 43128379

IUPACN'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
SMILESCC(C)(C)OCc1ccccc1/C(N)=N/O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-8-9-6-4-5-7-10(9)11(13)14-15/h4-7,15H,8H2,1-3H3,(H2,13,14)
InChIKeyNGAXNNDASUVWTF-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds3

About N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide

N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide (PubChem CID 43128379) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
PubChem CID43128379
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
SMILESCC(C)(C)OCc1ccccc1/C(N)=N/O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-8-9-6-4-5-7-10(9)11(13)14-15/h4-7,15H,8H2,1-3H3,(H2,13,14)
InChIKeyNGAXNNDASUVWTF-UHFFFAOYSA-N
XLogP2.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114942647
N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide
CID 43128393
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185374
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
2-[(3-ethylpentan-3-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77055815
N',2-dihydroxybenzenecarboximidamide
CID 4227476
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24704473
2-[(2-bromo-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43200113
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 61287384

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide (CID 43128379) is N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide is CC(C)(C)OCc1ccccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide?
The InChIKey is NGAXNNDASUVWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)16-8-9-6-4-5-7-10(9)11(13)14-15/h4-7,15H,8H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide?
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide has a molecular weight of 222.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 43128379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).