4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide

C14H23N3O2 — CID 77031227

IUPAC4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCCNCc1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H23N3O2/c1-2-3-9-19-10-8-16-11-12-4-6-13(7-5-12)14(15)17-18/h4-7,16,18H,2-3,8-11H2,1H3,(H2,15,17)
InChIKeyQKQJDSHIYVVJMY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.69
Rot. Bonds9

About 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide

4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77031227) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77031227
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCCNCc1ccc(C(N)=NO)cc1
InChIInChI=1S/C14H23N3O2/c1-2-3-9-19-10-8-16-11-12-4-6-13(7-5-12)14(15)17-18/h4-7,16,18H,2-3,8-11H2,1H3,(H2,15,17)
InChIKeyQKQJDSHIYVVJMY-UHFFFAOYSA-N
XLogP1.69
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 4-[(2-butoxyethylamino)methyl]-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

4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 61171818
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
4-[[3-(dimethylamino)propylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029990
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025986
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[(3-methylbutylamino)methyl]benzenecarboximidamide
CID 77025588
4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025374
N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide
CID 77028502

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77031227) is 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide is CCCCOCCNCc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QKQJDSHIYVVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-9-19-10-8-16-11-12-4-6-13(7-5-12)14(15)17-18/h4-7,16,18H,2-3,8-11H2,1H3,(H2,15,17).
What are the key properties of 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 1.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77031227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).