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

C13H21N3O — CID 43294941

IUPACN'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
SMILESCCCCCN(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C13H21N3O/c1-3-4-7-10-16(2)12-9-6-5-8-11(12)13(14)15-17/h5-6,8-9,17H,3-4,7,10H2,1-2H3,(H2,14,15)
InChIKeyUYVIGSAPLFGLLU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.41
Rot. Bonds6

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

N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide (PubChem CID 43294941) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
PubChem CID43294941
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
SMILESCCCCCN(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C13H21N3O/c1-3-4-7-10-16(2)12-9-6-5-8-11(12)13(14)15-17/h5-6,8-9,17H,3-4,7,10H2,1-2H3,(H2,14,15)
InChIKeyUYVIGSAPLFGLLU-UHFFFAOYSA-N
XLogP2.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
N'-hydroxy-2-[methyl(pentyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43294939
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methylheptanamide
CID 114753751
2-[methyl(octyl)amino]benzoic acid
CID 21437831
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 76883719
N',N'-dimethyl-2-[methyl(pentyl)amino]benzohydrazide
CID 67412773
N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 76916150
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
2-[ethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 43265830
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
CID 76984850
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide (CID 43294941) is N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide is CCCCCN(C)c1ccccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide?
The InChIKey is UYVIGSAPLFGLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-7-10-16(2)12-9-6-5-8-11(12)13(14)15-17/h5-6,8-9,17H,3-4,7,10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide?
N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide has a molecular weight of 235.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide is sourced from PubChem (CID 43294941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).