N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide

C13H21N3O2 — CID 61420527

IUPACN'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide
SMILESCOc1ccc(CN(C)CCCC(N)=NO)cc1
InChIInChI=1S/C13H21N3O2/c1-16(9-3-4-13(14)15-17)10-11-5-7-12(18-2)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H2,14,15)
InChIKeyHVPCBYDTJRLKNL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds7

About N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide

N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide (PubChem CID 61420527) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide
PubChem CID61420527
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide
SMILESCOc1ccc(CN(C)CCCC(N)=NO)cc1
InChIInChI=1S/C13H21N3O2/c1-16(9-3-4-13(14)15-17)10-11-5-7-12(18-2)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H2,14,15)
InChIKeyHVPCBYDTJRLKNL-UHFFFAOYSA-N
XLogP1.65
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732
4-[(4-methoxyphenyl)methyl-methylamino]butanethioamide
CID 61420617
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417517
3-[(4-tert-butylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 43186214
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
4-[(3-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61416205
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
9-[(4-methoxyphenyl)methyl-methylamino]nonane-1-thiol
CID 105344151
N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
CID 77069695
5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 54966073
3-[(3,4-dimethylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 54977733

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide (CID 61420527) is N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide is COc1ccc(CN(C)CCCC(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide?
The InChIKey is HVPCBYDTJRLKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(9-3-4-13(14)15-17)10-11-5-7-12(18-2)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide?
N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide has a molecular weight of 251.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide is sourced from PubChem (CID 61420527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).