N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide

C11H24N4O — CID 43175031

IUPACN'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide
SMILESCC(CN(C)C1CCN(C)CC1)/C(N)=N/O
InChIInChI=1S/C11H24N4O/c1-9(11(12)13-16)8-15(3)10-4-6-14(2)7-5-10/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyUBOPOPGTSJFFFB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.39
Rot. Bonds4

About N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide (PubChem CID 43175031) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide
PubChem CID43175031
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide
SMILESCC(CN(C)C1CCN(C)CC1)/C(N)=N/O
InChIInChI=1S/C11H24N4O/c1-9(11(12)13-16)8-15(3)10-4-6-14(2)7-5-10/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyUBOPOPGTSJFFFB-UHFFFAOYSA-N
XLogP0.39
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.39
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-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide (CID 43175031) is N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide is CC(CN(C)C1CCN(C)CC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide?
The InChIKey is UBOPOPGTSJFFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(11(12)13-16)8-15(3)10-4-6-14(2)7-5-10/h9-10,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide is sourced from PubChem (CID 43175031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).