N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide

C9H19N3O2 — CID 104866640

IUPACN'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide
SMILESCC1(NCCC(N)=NO)CCOCC1
InChIInChI=1S/C9H19N3O2/c1-9(3-6-14-7-4-9)11-5-2-8(10)12-13/h11,13H,2-7H2,1H3,(H2,10,12)
InChIKeyDWBOWAKSQIKGRC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.28
Rot. Bonds4

About N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide

N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide (PubChem CID 104866640) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide
PubChem CID104866640
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide
SMILESCC1(NCCC(N)=NO)CCOCC1
InChIInChI=1S/C9H19N3O2/c1-9(3-6-14-7-4-9)11-5-2-8(10)12-13/h11,13H,2-7H2,1H3,(H2,10,12)
InChIKeyDWBOWAKSQIKGRC-UHFFFAOYSA-N
XLogP0.28
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.28
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'}

Analyze N'-hydroxy-3-[(4-methyloxan-4-yl)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

3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyloxan-4-yl)amino]methyl]propanimidamide
CID 113808066
N'-hydroxy-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611241
N'-hydroxy-2-methyl-3-[methyl(oxan-4-yl)amino]propanimidamide
CID 43611243
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 55066359
N'-hydroxy-3-[oxan-4-ylmethyl(propan-2-yl)amino]propanimidamide
CID 76207010
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76942669
3-[ethyl(oxan-4-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76942670
N'-hydroxy-2-methyl-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942671
N'-hydroxy-3-[2-methylpropyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942673
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
3-[ethyl(oxan-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77013637

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide (CID 104866640) is N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide is CC1(NCCC(N)=NO)CCOCC1.
What is the InChIKey of N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide?
The InChIKey is DWBOWAKSQIKGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(3-6-14-7-4-9)11-5-2-8(10)12-13/h11,13H,2-7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide?
N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-methyloxan-4-yl)amino]propanimidamide is sourced from PubChem (CID 104866640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).