N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide

C15H25N3O — CID 107109273

IUPACN'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N(CC(C)C)C(C)C
InChIInChI=1S/C15H25N3O/c1-10(2)9-18(11(3)4)14-12(5)7-6-8-13(14)15(16)17-19/h6-8,10-11,19H,9H2,1-5H3,(H2,16,17)
InChIKeyRBDLFEPSXXNDFF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.96
Rot. Bonds5

About N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide

N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide (PubChem CID 107109273) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
PubChem CID107109273
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1N(CC(C)C)C(C)C
InChIInChI=1S/C15H25N3O/c1-10(2)9-18(11(3)4)14-12(5)7-6-8-13(14)15(16)17-19/h6-8,10-11,19H,9H2,1-5H3,(H2,16,17)
InChIKeyRBDLFEPSXXNDFF-UHFFFAOYSA-N
XLogP2.96
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.96
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-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107110148
N'-hydroxy-4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 76938828
N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107109142
2-[cyclohexyl(methyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109104
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 43265830
2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109308
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide
CID 107109251
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
CID 107110903
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide (CID 107109273) is N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1N(CC(C)C)C(C)C.
What is the InChIKey of N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
The InChIKey is RBDLFEPSXXNDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)9-18(11(3)4)14-12(5)7-6-8-13(14)15(16)17-19/h6-8,10-11,19H,9H2,1-5H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide?
N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide has a molecular weight of 263.38 g/mol, XLogP of 2.96, 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-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 107109273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).