N,N'-dibutyl-N-hydroxybenzenecarboximidamide

C15H24N2O — CID 87477851

IUPACN,N'-dibutyl-N-hydroxybenzenecarboximidamide
SMILESCCCC/N=C(/c1ccccc1)N(O)CCCC
InChIInChI=1S/C15H24N2O/c1-3-5-12-16-15(17(18)13-6-4-2)14-10-8-7-9-11-14/h7-11,18H,3-6,12-13H2,1-2H3/b16-15-
InChIKeyIWJCNHGGZUWUSD-NXVVXOECSA-N
MW248.37 g/mol
LogP3.72
Rot. Bonds7

About N,N'-dibutyl-N-hydroxybenzenecarboximidamide

N,N'-dibutyl-N-hydroxybenzenecarboximidamide (PubChem CID 87477851) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N'-dibutyl-N-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN,N'-dibutyl-N-hydroxybenzenecarboximidamide
PubChem CID87477851
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N'-dibutyl-N-hydroxybenzenecarboximidamide
SMILESCCCC/N=C(/c1ccccc1)N(O)CCCC
InChIInChI=1S/C15H24N2O/c1-3-5-12-16-15(17(18)13-6-4-2)14-10-8-7-9-11-14/h7-11,18H,3-6,12-13H2,1-2H3/b16-15-
InChIKeyIWJCNHGGZUWUSD-NXVVXOECSA-N
XLogP3.72
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-dibutyl-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

Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-N-hydroxybenzenecarboximidamide?
The IUPAC name of N,N'-dibutyl-N-hydroxybenzenecarboximidamide (CID 87477851) is N,N'-dibutyl-N-hydroxybenzenecarboximidamide.
What is the SMILES notation for N,N'-dibutyl-N-hydroxybenzenecarboximidamide?
The canonical SMILES for N,N'-dibutyl-N-hydroxybenzenecarboximidamide is CCCC/N=C(/c1ccccc1)N(O)CCCC.
What is the InChIKey of N,N'-dibutyl-N-hydroxybenzenecarboximidamide?
The InChIKey is IWJCNHGGZUWUSD-NXVVXOECSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-12-16-15(17(18)13-6-4-2)14-10-8-7-9-11-14/h7-11,18H,3-6,12-13H2,1-2H3/b16-15-.
What are the key properties of N,N'-dibutyl-N-hydroxybenzenecarboximidamide?
N,N'-dibutyl-N-hydroxybenzenecarboximidamide has a molecular weight of 248.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-N-hydroxybenzenecarboximidamide is sourced from PubChem (CID 87477851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).