N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide

C11H24N4O — CID 24709708

IUPACN'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide
SMILESCN1CCC(N(C)CCC/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O/c1-14-8-5-10(6-9-14)15(2)7-3-4-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyGYMULBGIGSFCAA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.54
Rot. Bonds5

About N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide

N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide (PubChem CID 24709708) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide
PubChem CID24709708
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide
SMILESCN1CCC(N(C)CCC/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O/c1-14-8-5-10(6-9-14)15(2)7-3-4-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyGYMULBGIGSFCAA-UHFFFAOYSA-N
XLogP0.54
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.54
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-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide (CID 24709708) is N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide is CN1CCC(N(C)CCC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide?
The InChIKey is GYMULBGIGSFCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-14-8-5-10(6-9-14)15(2)7-3-4-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide?
N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide is sourced from PubChem (CID 24709708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).