N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide

C10H21N3O2 — CID 76942680

IUPACN'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide
SMILESCC(C(N)=NO)N(C)CC1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-8(10(11)12-14)13(2)7-9-3-5-15-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyYRENTGGJBZDOSB-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.48
Rot. Bonds4

About N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide

N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide (PubChem CID 76942680) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide
PubChem CID76942680
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide
SMILESCC(C(N)=NO)N(C)CC1CCOCC1
InChIInChI=1S/C10H21N3O2/c1-8(10(11)12-14)13(2)7-9-3-5-15-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyYRENTGGJBZDOSB-UHFFFAOYSA-N
XLogP0.48
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.48
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-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951295
N'-hydroxy-3-[methyl(oxolan-3-ylmethyl)amino]butanimidamide
CID 76987614
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
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 104768583
1-chloro-N-methyl-N-(oxan-4-ylmethyl)propan-2-amine
CID 104555183
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide
CID 63705691
3-[methyl(oxan-4-ylmethyl)amino]pentanethioamide
CID 63711154
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711538
N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
CID 77057917
N'-hydroxy-5-[methyl(oxan-4-ylmethyl)amino]pentanimidamide
CID 76951572

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide (CID 76942680) is N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide is CC(C(N)=NO)N(C)CC1CCOCC1.
What is the InChIKey of N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide?
The InChIKey is YRENTGGJBZDOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(10(11)12-14)13(2)7-9-3-5-15-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide?
N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.48, 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(oxan-4-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 76942680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).