N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide

C13H28N4O — CID 55219817

IUPACN'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
SMILESCCCCCN1CCN(C(C)(C)/C(N)=N/O)CC1
InChIInChI=1S/C13H28N4O/c1-4-5-6-7-16-8-10-17(11-9-16)13(2,3)12(14)15-18/h18H,4-11H2,1-3H3,(H2,14,15)
InChIKeyZBBDMHQAGQXUMM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.32
Rot. Bonds6

About N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide

N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide (PubChem CID 55219817) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
PubChem CID55219817
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
SMILESCCCCCN1CCN(C(C)(C)/C(N)=N/O)CC1
InChIInChI=1S/C13H28N4O/c1-4-5-6-7-16-8-10-17(11-9-16)13(2,3)12(14)15-18/h18H,4-11H2,1-3H3,(H2,14,15)
InChIKeyZBBDMHQAGQXUMM-UHFFFAOYSA-N
XLogP1.32
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433
N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide
CID 55201586
N'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide
CID 103409998
N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
CID 104863517
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide
CID 77012082
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 55203523
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012657
2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine
CID 63343718
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012843

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide (CID 55219817) is N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide is CCCCCN1CCN(C(C)(C)/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide?
The InChIKey is ZBBDMHQAGQXUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-5-6-7-16-8-10-17(11-9-16)13(2,3)12(14)15-18/h18H,4-11H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide?
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 55219817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).