2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide

C12H20N4O — CID 55226951

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CCN(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C12H20N4O/c1-15(2)8-9-16(3)11-7-5-4-6-10(11)12(13)14-17/h4-7,17H,8-9H2,1-3H3,(H2,13,14)
InChIKeyNPPRHRILXBJMMC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.78
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide

2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 55226951) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID55226951
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CCN(C)c1ccccc1/C(N)=N/O
InChIInChI=1S/C12H20N4O/c1-15(2)8-9-16(3)11-7-5-4-6-10(11)12(13)14-17/h4-7,17H,8-9H2,1-3H3,(H2,13,14)
InChIKeyNPPRHRILXBJMMC-UHFFFAOYSA-N
XLogP0.78
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.78
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

N'-hydroxy-2-[methyl(pentyl)amino]benzenecarboximidamide
CID 43294941
N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 76883719
2-[bis[(3Z)-3-amino-3-hydroxyiminopropyl]amino]-N'-hydroxybenzenecarboximidamide
CID 173487868
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 61442073
2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107306598
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
4-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxyquinoline-3-carboximidamide
CID 77017337
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949677
2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
2-[3-(dimethylamino)propyl-methylamino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017330
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114346077

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide (CID 55226951) is 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide is CN(C)CCN(C)c1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is NPPRHRILXBJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)8-9-16(3)11-7-5-4-6-10(11)12(13)14-17/h4-7,17H,8-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide?
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 236.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55226951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).