N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide

C12H19N3O — CID 107109142

IUPACN'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
SMILESCCCN(C)c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C12H19N3O/c1-4-8-15(3)11-9(2)6-5-7-10(11)12(13)14-16/h5-7,16H,4,8H2,1-3H3,(H2,13,14)
InChIKeyFMEUJSMRKXCWIZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds4

About N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide

N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide (PubChem CID 107109142) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
PubChem CID107109142
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
SMILESCCCN(C)c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C12H19N3O/c1-4-8-15(3)11-9(2)6-5-7-10(11)12(13)14-16/h5-7,16H,4,8H2,1-3H3,(H2,13,14)
InChIKeyFMEUJSMRKXCWIZ-UHFFFAOYSA-N
XLogP1.94
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
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

2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109308
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109419
N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107109273
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide
CID 107109251
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
CID 107110903
N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
CID 43294941
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
2-[2-hydroxyethyl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110059
2-butylsulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110916
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
CID 76984850

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide (CID 107109142) is N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide is CCCN(C)c1c(C)cccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide?
The InChIKey is FMEUJSMRKXCWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-8-15(3)11-9(2)6-5-7-10(11)12(13)14-16/h5-7,16H,4,8H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide?
N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide has a molecular weight of 221.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide is sourced from PubChem (CID 107109142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).