N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide

C10H22N4O — CID 77012111

IUPACN'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C)CC1
InChIInChI=1S/C10H22N4O/c1-3-4-9(10(11)12-15)14-7-5-13(2)6-8-14/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyWXQICQIIKPAROE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.15
Rot. Bonds4

About N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide

N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide (PubChem CID 77012111) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
PubChem CID77012111
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C)CC1
InChIInChI=1S/C10H22N4O/c1-3-4-9(10(11)12-15)14-7-5-13(2)6-8-14/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyWXQICQIIKPAROE-UHFFFAOYSA-N
XLogP0.15
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
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'}

Analyze N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide 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'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide (CID 77012111) is N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide is CCCC(C(N)=NO)N1CCN(C)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide?
The InChIKey is WXQICQIIKPAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-3-4-9(10(11)12-15)14-7-5-13(2)6-8-14/h9,15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide?
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide has a molecular weight of 214.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide is sourced from PubChem (CID 77012111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).