N-hydroxy-N'-(4-propylphenyl)methanimidamide

C10H14N2O — CID 10313363

IUPACN-hydroxy-N'-(4-propylphenyl)methanimidamide
SMILESCCCc1ccc(/N=C/NO)cc1
InChIInChI=1S/C10H14N2O/c1-2-3-9-4-6-10(7-5-9)11-8-12-13/h4-8,13H,2-3H2,1H3,(H,11,12)
InChIKeyHMPRMXLNQCPSPS-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.28
Rot. Bonds4

About N-hydroxy-N'-(4-propylphenyl)methanimidamide

N-hydroxy-N'-(4-propylphenyl)methanimidamide (PubChem CID 10313363) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-hydroxy-N'-(4-propylphenyl)methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-propylphenyl)methanimidamide
PubChem CID10313363
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-hydroxy-N'-(4-propylphenyl)methanimidamide
SMILESCCCc1ccc(/N=C/NO)cc1
InChIInChI=1S/C10H14N2O/c1-2-3-9-4-6-10(7-5-9)11-8-12-13/h4-8,13H,2-3H2,1H3,(H,11,12)
InChIKeyHMPRMXLNQCPSPS-UHFFFAOYSA-N
XLogP2.28
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(4-propylphenyl)methanimidamide?
The IUPAC name of N-hydroxy-N'-(4-propylphenyl)methanimidamide (CID 10313363) is N-hydroxy-N'-(4-propylphenyl)methanimidamide.
What is the SMILES notation for N-hydroxy-N'-(4-propylphenyl)methanimidamide?
The canonical SMILES for N-hydroxy-N'-(4-propylphenyl)methanimidamide is CCCc1ccc(/N=C/NO)cc1.
What is the InChIKey of N-hydroxy-N'-(4-propylphenyl)methanimidamide?
The InChIKey is HMPRMXLNQCPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-3-9-4-6-10(7-5-9)11-8-12-13/h4-8,13H,2-3H2,1H3,(H,11,12).
What are the key properties of N-hydroxy-N'-(4-propylphenyl)methanimidamide?
N-hydroxy-N'-(4-propylphenyl)methanimidamide has a molecular weight of 178.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4-propylphenyl)methanimidamide is sourced from PubChem (CID 10313363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).