N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide

C9H20N4O — CID 43585302

IUPACN'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide
SMILESCC(C)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O/c1-8(2)13-5-3-12(4-6-13)7-9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyZTGNDRDMUVDFCI-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.24
Rot. Bonds3

About N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide

N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide (PubChem CID 43585302) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide
PubChem CID43585302
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide
SMILESCC(C)N1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O/c1-8(2)13-5-3-12(4-6-13)7-9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyZTGNDRDMUVDFCI-UHFFFAOYSA-N
XLogP-0.24
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.24
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-(4-propan-2-ylpiperazin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide (CID 43585302) is N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide is CC(C)N1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide?
The InChIKey is ZTGNDRDMUVDFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-8(2)13-5-3-12(4-6-13)7-9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide?
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide has a molecular weight of 200.29 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)ethanimidamide is sourced from PubChem (CID 43585302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).