4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide

C13H20N4O — CID 174515123

IUPAC4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\CC(C)N(C)C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H20N4O/c1-9(17(2)3)8-12(14)10-4-6-11(7-5-10)13(15)16-18/h4-7,9,14,18H,8H2,1-3H3,(H2,15,16)/b14-12+
InChIKeyZVLQATFZXDJNIZ-WYMLVPIESA-N
MW248.33 g/mol
LogP1.49
Rot. Bonds5

About 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide

4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 174515123) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide
PubChem CID174515123
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide
SMILES[H]/N=C(\CC(C)N(C)C)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H20N4O/c1-9(17(2)3)8-12(14)10-4-6-11(7-5-10)13(15)16-18/h4-7,9,14,18H,8H2,1-3H3,(H2,15,16)/b14-12+
InChIKeyZVLQATFZXDJNIZ-WYMLVPIESA-N
XLogP1.49
TPSA85.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
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

5-[3-(dimethylamino)butanimidoyl]-2-nitroaniline
CID 174464964
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide
CID 123169234
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
N'-hydroxy-4-[methyl(2-methylbutan-2-yl)amino]benzenecarboximidamide
CID 77014182
N'-hydroxy-4-(2-methylpropylsulfanylmethyl)benzenecarboximidamide
CID 43125837
2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide
CID 174605165
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 77000986
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide (CID 174515123) is 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide is [H]/N=C(\CC(C)N(C)C)c1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZVLQATFZXDJNIZ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(17(2)3)8-12(14)10-4-6-11(7-5-10)13(15)16-18/h4-7,9,14,18H,8H2,1-3H3,(H2,15,16)/b14-12+.
What are the key properties of 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide?
4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)butanimidoyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 174515123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).