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

C11H24N4O — CID 76946405

IUPACN'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)C1CCCN(C)C1
InChIInChI=1S/C11H24N4O/c1-4-10(11(12)13-16)15(3)9-6-5-7-14(2)8-9/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyMLSGLFMOWUZTLM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.54
Rot. Bonds4

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

N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide (PubChem CID 76946405) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide
PubChem CID76946405
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide
SMILESCCC(C(N)=NO)N(C)C1CCCN(C)C1
InChIInChI=1S/C11H24N4O/c1-4-10(11(12)13-16)15(3)9-6-5-7-14(2)8-9/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyMLSGLFMOWUZTLM-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
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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Related Compounds

2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 76915568
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
N'-hydroxy-2-[(2-hydroxycyclohexyl)-methylamino]butanimidamide
CID 102632403
N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032015
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
CID 55084848
3-N-methyl-3-N-(1-methylpiperidin-3-yl)-1-N-propan-2-ylbutane-1,3-diamine
CID 62545786
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569013
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547118
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62546657
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546211

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide (CID 76946405) is N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide is CCC(C(N)=NO)N(C)C1CCCN(C)C1.
What is the InChIKey of N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide?
The InChIKey is MLSGLFMOWUZTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-4-10(11(12)13-16)15(3)9-6-5-7-14(2)8-9/h9-10,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide?
N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.54, 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-(1-methylpiperidin-3-yl)amino]butanimidamide is sourced from PubChem (CID 76946405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).