3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide

C12H19N3O — CID 62971843

IUPAC3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)N(C)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C12H19N3O/c1-4-9(2)15(3)11-7-5-6-10(8-11)12(13)14-16/h5-9,16H,4H2,1-3H3,(H2,13,14)
InChIKeyOLXZRJNCOAQFKK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide

3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 62971843) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID62971843
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCC(C)N(C)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C12H19N3O/c1-4-9(2)15(3)11-7-5-6-10(8-11)12(13)14-16/h5-9,16H,4H2,1-3H3,(H2,13,14)
InChIKeyOLXZRJNCOAQFKK-UHFFFAOYSA-N
XLogP2.02
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
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'}

Analyze 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979490
N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
1-[3-(N'-hydroxycarbamimidoyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 76979261
N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83156187
4-[butan-2-yl(methyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658169
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
3-[methyl(pentan-2-yl)amino]benzenecarbothioamide
CID 107895714
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932856
N'-hydroxy-3-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572156
N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
CID 76979517
3-(butan-2-yloxymethyl)-N'-hydroxybenzenecarboximidamide
CID 76883227
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76979499

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide (CID 62971843) is 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide is CCC(C)N(C)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is OLXZRJNCOAQFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-9(2)15(3)11-7-5-6-10(8-11)12(13)14-16/h5-9,16H,4H2,1-3H3,(H2,13,14).
What are the key properties of 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide?
3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 62971843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).