N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide

C11H23N3O2 — CID 77057994

IUPACN'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
SMILESCC(CN(C)CCC1CCCO1)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-9(11(12)13-15)8-14(2)6-5-10-4-3-7-16-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyLBKIRZCDHNBNOB-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds6

About N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide (PubChem CID 77057994) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
PubChem CID77057994
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
SMILESCC(CN(C)CCC1CCCO1)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-9(11(12)13-15)8-14(2)6-5-10-4-3-7-16-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyLBKIRZCDHNBNOB-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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'}

Analyze N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]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-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
CID 77057917
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3-(oxolan-2-yl)propanamide
CID 77057849
3-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanethioamide
CID 65161267
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61431841
N'-hydroxy-2-methyl-3-(oxan-2-ylmethoxy)propanimidamide
CID 43368535
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 76915828
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841
1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
CID 120857063
3-[ethyl-[2-(oxolan-2-yl)ethyl]amino]-N'-hydroxypropanimidamide
CID 77057992
N'-hydroxy-2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanimidamide
CID 103954998
N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
CID 43272171

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide (CID 77057994) is N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide is CC(CN(C)CCC1CCCO1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide?
The InChIKey is LBKIRZCDHNBNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(11(12)13-15)8-14(2)6-5-10-4-3-7-16-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide is sourced from PubChem (CID 77057994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).