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

C13H21N3O — CID 76979492

IUPACN'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
SMILESCC(C)CCN(C)c1cccc(C(N)=NO)c1
InChIInChI=1S/C13H21N3O/c1-10(2)7-8-16(3)12-6-4-5-11(9-12)13(14)15-17/h4-6,9-10,17H,7-8H2,1-3H3,(H2,14,15)
InChIKeySLNJIOBHQPVIDG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.26
Rot. Bonds5

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

N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide (PubChem CID 76979492) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
PubChem CID76979492
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
SMILESCC(C)CCN(C)c1cccc(C(N)=NO)c1
InChIInChI=1S/C13H21N3O/c1-10(2)7-8-16(3)12-6-4-5-11(9-12)13(14)15-17/h4-6,9-10,17H,7-8H2,1-3H3,(H2,14,15)
InChIKeySLNJIOBHQPVIDG-UHFFFAOYSA-N
XLogP2.26
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.26
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-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83156187
3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979490
3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 62971843
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
CID 103409993
N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
CID 76979517
N'-hydroxy-3-[3-imidazol-1-ylpropyl(methyl)amino]benzenecarboximidamide
CID 76979516
1-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 76979261
N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 76979496
N'-hydroxy-3-[[methyl(3-methylbutylsulfonyl)amino]methyl]benzenecarboximidamide
CID 77008650
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
N'-hydroxy-3-methyl-4-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 54934017
4-bromo-N'-hydroxy-2-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 114903945

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide (CID 76979492) is N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide is CC(C)CCN(C)c1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide?
The InChIKey is SLNJIOBHQPVIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)7-8-16(3)12-6-4-5-11(9-12)13(14)15-17/h4-6,9-10,17H,7-8H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide?
N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide has a molecular weight of 235.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76979492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).