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

C11H24N4O — CID 77032015

IUPACN'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
SMILESCCC(NCC1CCCN(C)C1)C(N)=NO
InChIInChI=1S/C11H24N4O/c1-3-10(11(12)14-16)13-7-9-5-4-6-15(2)8-9/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyRXRNXCXFDFOMLP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.44
Rot. Bonds5

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

N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide (PubChem CID 77032015) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
PubChem CID77032015
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
SMILESCCC(NCC1CCCN(C)C1)C(N)=NO
InChIInChI=1S/C11H24N4O/c1-3-10(11(12)14-16)13-7-9-5-4-6-15(2)8-9/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyRXRNXCXFDFOMLP-UHFFFAOYSA-N
XLogP0.44
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
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-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
CID 77028625
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
N'-hydroxy-2-[(1-methylpiperidin-4-yl)amino]butanimidamide
CID 77028374
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
N'-hydroxy-2-[methyl-(1-methylpiperidin-3-yl)amino]butanimidamide
CID 76946405
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine
CID 115769979
N'-hydroxy-2-[2-(3-methylcyclohexyl)ethylamino]butanimidamide
CID 77028515
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
N'-hydroxy-4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenecarboximidamide
CID 77032157
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide (CID 77032015) is N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide is CCC(NCC1CCCN(C)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide?
The InChIKey is RXRNXCXFDFOMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-10(11(12)14-16)13-7-9-5-4-6-15(2)8-9/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide?
N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide is sourced from PubChem (CID 77032015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).