N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide

C13H20N2O2 — CID 107892897

IUPACN'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
SMILESCCCC(C)Oc1cc(/C(N)=N/O)ccc1C
InChIInChI=1S/C13H20N2O2/c1-4-5-10(3)17-12-8-11(13(14)15-16)7-6-9(12)2/h6-8,10,16H,4-5H2,1-3H3,(H2,14,15)
InChIKeyLHZFKSZKBCBRRT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.66
Rot. Bonds5

About N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide

N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide (PubChem CID 107892897) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
PubChem CID107892897
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
SMILESCCCC(C)Oc1cc(/C(N)=N/O)ccc1C
InChIInChI=1S/C13H20N2O2/c1-4-5-10(3)17-12-8-11(13(14)15-16)7-6-9(12)2/h6-8,10,16H,4-5H2,1-3H3,(H2,14,15)
InChIKeyLHZFKSZKBCBRRT-UHFFFAOYSA-N
XLogP2.66
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.66
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

N'-hydroxy-3-pentan-2-yloxybenzenecarboximidamide
CID 107892882
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
4-methyl-3-pentan-2-yloxyaniline
CID 107890554
5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
CID 102982026
3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
CID 82800140
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 77068937
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 115468073
N'-hydroxy-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 107656724
N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
CID 107930155
3-chloro-N'-hydroxy-4-(1-methoxypropan-2-yloxy)benzenecarboximidamide
CID 77015882

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide (CID 107892897) is N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide is CCCC(C)Oc1cc(/C(N)=N/O)ccc1C.
What is the InChIKey of N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide?
The InChIKey is LHZFKSZKBCBRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-5-10(3)17-12-8-11(13(14)15-16)7-6-9(12)2/h6-8,10,16H,4-5H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide?
N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide has a molecular weight of 236.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 107892897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).