N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide

C12H24N4O2 — CID 77001919

IUPACN'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide
SMILESCN1CCN(C(=O)C(C)(C)C(N)=NO)CC1(C)C
InChIInChI=1S/C12H24N4O2/c1-11(2)8-16(7-6-15(11)5)10(17)12(3,4)9(13)14-18/h18H,6-8H2,1-5H3,(H2,13,14)
InChIKeyFCLMBQZCTCAXQJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.31
Rot. Bonds2

About N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide

N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide (PubChem CID 77001919) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide
PubChem CID77001919
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide
SMILESCN1CCN(C(=O)C(C)(C)C(N)=NO)CC1(C)C
InChIInChI=1S/C12H24N4O2/c1-11(2)8-16(7-6-15(11)5)10(17)12(3,4)9(13)14-18/h18H,6-8H2,1-5H3,(H2,13,14)
InChIKeyFCLMBQZCTCAXQJ-UHFFFAOYSA-N
XLogP0.31
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.31
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-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide (CID 77001919) is N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide is CN1CCN(C(=O)C(C)(C)C(N)=NO)CC1(C)C.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide?
The InChIKey is FCLMBQZCTCAXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-11(2)8-16(7-6-15(11)5)10(17)12(3,4)9(13)14-18/h18H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide?
N'-hydroxy-2,2-dimethyl-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide has a molecular weight of 256.35 g/mol, XLogP of 0.31, 2 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-3-oxo-3-(3,3,4-trimethylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 77001919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).