N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide

C12H26N4O — CID 77063057

IUPACN'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide
SMILESCN1CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-12(2,11(13)14-17)5-4-6-16-9-7-15(3)8-10-16/h17H,4-10H2,1-3H3,(H2,13,14)
InChIKeyNVFPZLJXXZINME-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.79
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide (PubChem CID 77063057) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide
PubChem CID77063057
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide
SMILESCN1CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-12(2,11(13)14-17)5-4-6-16-9-7-15(3)8-10-16/h17H,4-10H2,1-3H3,(H2,13,14)
InChIKeyNVFPZLJXXZINME-UHFFFAOYSA-N
XLogP0.79
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.79
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide (CID 77063057) is N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide is CN1CCN(CCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide?
The InChIKey is NVFPZLJXXZINME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(2,11(13)14-17)5-4-6-16-9-7-15(3)8-10-16/h17H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentanimidamide is sourced from PubChem (CID 77063057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).