5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

C13H28N4O — CID 77063092

IUPAC5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCN1CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-4-16-8-10-17(11-9-16)7-5-6-13(2,3)12(14)15-18/h18H,4-11H2,1-3H3,(H2,14,15)
InChIKeyYLWSODGBIVVLTE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.18
Rot. Bonds6

About 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063092) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063092
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCN1CCN(CCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C13H28N4O/c1-4-16-8-10-17(11-9-16)7-5-6-13(2,3)12(14)15-18/h18H,4-11H2,1-3H3,(H2,14,15)
InChIKeyYLWSODGBIVVLTE-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063092) is 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is CCN1CCN(CCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is YLWSODGBIVVLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-16-8-10-17(11-9-16)7-5-6-13(2,3)12(14)15-18/h18H,4-11H2,1-3H3,(H2,14,15).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).