N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide

C11H23N3O2 — CID 76987538

IUPACN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CC1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-9(7-11(12)13-15)14(2)8-10-3-5-16-6-4-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyKCPUPDRWAIDVPM-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds5

About N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide

N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide (PubChem CID 76987538) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
PubChem CID76987538
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
SMILESCC(CC(N)=NO)N(C)CC1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-9(7-11(12)13-15)14(2)8-10-3-5-16-6-4-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyKCPUPDRWAIDVPM-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.87
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

N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942680
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711538
N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
CID 77008845
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
1-N,2-N-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 63707845
1-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 104555183
3-[methyl(oxan-4-ylmethyl)amino]pentanethioamide
CID 63711154
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide
CID 76987480
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951295

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide (CID 76987538) is N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide is CC(CC(N)=NO)N(C)CC1CCOCC1.
What is the InChIKey of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
The InChIKey is KCPUPDRWAIDVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(7-11(12)13-15)14(2)8-10-3-5-16-6-4-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide?
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide is sourced from PubChem (CID 76987538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).