3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide

C13H19N3O2 — CID 77030360

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC1Cc2ccccc2O1)C(N)=NO
InChIInChI=1S/C13H19N3O2/c1-9(13(14)16-17)7-15-8-11-6-10-4-2-3-5-12(10)18-11/h2-5,9,11,15,17H,6-8H2,1H3,(H2,14,16)
InChIKeyZNVWRPLFRYMEFK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide

3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77030360) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID77030360
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC1Cc2ccccc2O1)C(N)=NO
InChIInChI=1S/C13H19N3O2/c1-9(13(14)16-17)7-15-8-11-6-10-4-2-3-5-12(10)18-11/h2-5,9,11,15,17H,6-8H2,1H3,(H2,14,16)
InChIKeyZNVWRPLFRYMEFK-UHFFFAOYSA-N
XLogP0.96
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
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 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide 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-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 76953003
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-1-amine
CID 106286562
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide (CID 77030360) is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide is CC(CNCC1Cc2ccccc2O1)C(N)=NO.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZNVWRPLFRYMEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(13(14)16-17)7-15-8-11-6-10-4-2-3-5-12(10)18-11/h2-5,9,11,15,17H,6-8H2,1H3,(H2,14,16).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 249.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77030360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).