N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide

C15H25N3O3 — CID 106161740

IUPACN'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)cc1CNCCCC(C)CO
InChIInChI=1S/C15H25N3O3/c1-11(10-19)4-3-7-17-9-13-8-12(15(16)18-20)5-6-14(13)21-2/h5-6,8,11,17,19-20H,3-4,7,9-10H2,1-2H3,(H2,16,18)
InChIKeyHLKYNVIMIUTOOE-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.29
Rot. Bonds9

About N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide

N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide (PubChem CID 106161740) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide
PubChem CID106161740
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)cc1CNCCCC(C)CO
InChIInChI=1S/C15H25N3O3/c1-11(10-19)4-3-7-17-9-13-8-12(15(16)18-20)5-6-14(13)21-2/h5-6,8,11,17,19-20H,3-4,7,9-10H2,1-2H3,(H2,16,18)
InChIKeyHLKYNVIMIUTOOE-UHFFFAOYSA-N
XLogP1.29
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-4-methoxy-3-[(pent-4-ynylamino)methyl]benzenecarboximidamide
CID 106222338
2-methyl-5-[(2,4,5-trimethoxyphenyl)methylamino]pentan-1-ol
CID 103859360
N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide
CID 106293172
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 113340286
3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 103461984
3-chloro-N'-hydroxy-4-[[(3-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667278
3-chloro-N'-hydroxy-4-[(4-hydroxypentylamino)methyl]benzenecarboximidamide
CID 106136322
N'-hydroxy-3-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]-4-methoxybenzenecarboximidamide
CID 107865898
3-chloro-N'-hydroxy-4-[(4-propan-2-yloxybutylamino)methyl]benzenecarboximidamide
CID 106011956
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
N'-hydroxy-4-[(5-hydroxypentylamino)methyl]-3-methylbenzenecarboximidamide
CID 107317916
N'-hydroxy-4-[(6-hydroxyhexylamino)methyl]-3-methylbenzenecarboximidamide
CID 107853266

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide (CID 106161740) is N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)cc1CNCCCC(C)CO.
What is the InChIKey of N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide?
The InChIKey is HLKYNVIMIUTOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11(10-19)4-3-7-17-9-13-8-12(15(16)18-20)5-6-14(13)21-2/h5-6,8,11,17,19-20H,3-4,7,9-10H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide?
N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide has a molecular weight of 295.38 g/mol, XLogP of 1.29, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 106161740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).