N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide

C11H16N2O — CID 96670524

IUPACN'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
SMILESCC(C)Cc1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C11H16N2O/c1-8(2)7-9-3-5-10(6-4-9)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13)
InChIKeyWBEOSDFOXLUUPI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.98
Rot. Bonds3

About N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide

N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide (PubChem CID 96670524) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
PubChem CID96670524
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
SMILESCC(C)Cc1ccc(/C(N)=N\O)cc1
InChIInChI=1S/C11H16N2O/c1-8(2)7-9-3-5-10(6-4-9)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13)
InChIKeyWBEOSDFOXLUUPI-UHFFFAOYSA-N
XLogP1.98
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.98
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-[4-(2-methylpropyl)phenyl]ethylidene]hydroxylamine
CID 5488589
N'-hydroxy-4-(2-methylpropylsulfanylmethyl)benzenecarboximidamide
CID 43125837
N'-hydroxy-4-[(3-methylbutylamino)methyl]benzenecarboximidamide
CID 77025588
(2S)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066412
(2R)-N'-hydroxy-2-[4-(2-methylpropyl)phenyl]propanimidamide
CID 173066411
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
N'-hydroxy-4-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 43125829
N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
CID 91311863
N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide
CID 123169234
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
N'-hydroxy-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzenecarboximidamide
CID 81408328

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide (CID 96670524) is N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide is CC(C)Cc1ccc(/C(N)=N\O)cc1.
What is the InChIKey of N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide?
The InChIKey is WBEOSDFOXLUUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)7-9-3-5-10(6-4-9)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide?
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide is sourced from PubChem (CID 96670524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).