N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide

C9H21N5O — CID 83015223

IUPACN'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide
SMILESCN1CCN(NCCCC(N)=NO)CC1
InChIInChI=1S/C9H21N5O/c1-13-5-7-14(8-6-13)11-4-2-3-9(10)12-15/h11,15H,2-8H2,1H3,(H2,10,12)
InChIKeyOEWPVEQIGLMXTK-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.74
Rot. Bonds5

About N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide

N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide (PubChem CID 83015223) has the molecular formula C9H21N5O and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide
PubChem CID83015223
Molecular FormulaC9H21N5O
Molecular Weight215.30 g/mol
Exact Mass215.17
IUPAC NameN'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide
SMILESCN1CCN(NCCCC(N)=NO)CC1
InChIInChI=1S/C9H21N5O/c1-13-5-7-14(8-6-13)11-4-2-3-9(10)12-15/h11,15H,2-8H2,1H3,(H2,10,12)
InChIKeyOEWPVEQIGLMXTK-UHFFFAOYSA-N
XLogP-0.74
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide (CID 83015223) is N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide is CN1CCN(NCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide?
The InChIKey is OEWPVEQIGLMXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O/c1-13-5-7-14(8-6-13)11-4-2-3-9(10)12-15/h11,15H,2-8H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide?
N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-methylpiperazin-1-yl)amino]butanimidamide is sourced from PubChem (CID 83015223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).