N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide

C15H24N2O2 — CID 77068937

IUPACN'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
SMILESCCCC(C)COc1c(C)cc(C(N)=NO)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-6-10(2)9-19-14-11(3)7-13(8-12(14)4)15(16)17-18/h7-8,10,18H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyYMQYAMUTQDDEMW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.21
Rot. Bonds6

About N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide

N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide (PubChem CID 77068937) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
PubChem CID77068937
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
SMILESCCCC(C)COc1c(C)cc(C(N)=NO)cc1C
InChIInChI=1S/C15H24N2O2/c1-5-6-10(2)9-19-14-11(3)7-13(8-12(14)4)15(16)17-18/h7-8,10,18H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyYMQYAMUTQDDEMW-UHFFFAOYSA-N
XLogP3.21
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.21
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

3,5-difluoro-N'-hydroxy-4-(2-methylpentoxy)benzenecarboximidamide
CID 103283904
3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 65471181
4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 80695553
N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283917
2-hydroxy-N-[(2S)-2-hydroxy-3-[4-(N'-hydroxycarbamimidoyl)-2,6-dimethylphenoxy]propyl]acetamide
CID 86646442
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
CID 107892897
3-fluoro-N'-hydroxy-4-(2-methylpentoxymethyl)benzenecarboximidamide
CID 103283920
N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 103283898
3-ethyl-N'-hydroxy-5-methyl-4-prop-2-enoxybenzenecarboximidamide
CID 72529763
N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103283887

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide (CID 77068937) is N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide is CCCC(C)COc1c(C)cc(C(N)=NO)cc1C.
What is the InChIKey of N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide?
The InChIKey is YMQYAMUTQDDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-6-10(2)9-19-14-11(3)7-13(8-12(14)4)15(16)17-18/h7-8,10,18H,5-6,9H2,1-4H3,(H2,16,17).
What are the key properties of N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide?
N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide has a molecular weight of 264.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide is sourced from PubChem (CID 77068937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).