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

C12H25N3O2 — CID 76951556

IUPACN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-11(8-12(13)14-16)15(2)9-10-4-6-17-7-5-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyVMEKYMQARFJOBW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.26
Rot. Bonds6

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

N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide (PubChem CID 76951556) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
PubChem CID76951556
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
SMILESCCC(CC(N)=NO)N(C)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-11(8-12(13)14-16)15(2)9-10-4-6-17-7-5-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyVMEKYMQARFJOBW-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.26
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'}

Analyze N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide (CID 76951556) is N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide is CCC(CC(N)=NO)N(C)CC1CCOCC1.
What is the InChIKey of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
The InChIKey is VMEKYMQARFJOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-11(8-12(13)14-16)15(2)9-10-4-6-17-7-5-10/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide?
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.26, 6 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]pentanimidamide is sourced from PubChem (CID 76951556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).