3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide

C13H19N3O2 — CID 77028469

IUPAC3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NC1CCOc2ccccc21
InChIInChI=1S/C13H19N3O2/c1-9(8-13(14)16-17)15-11-6-7-18-12-5-3-2-4-10(11)12/h2-5,9,11,15,17H,6-8H2,1H3,(H2,14,16)
InChIKeyBGYWABBEVOKSKP-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.62
Rot. Bonds4

About 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide

3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide (PubChem CID 77028469) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
PubChem CID77028469
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NC1CCOc2ccccc21
InChIInChI=1S/C13H19N3O2/c1-9(8-13(14)16-17)15-11-6-7-18-12-5-3-2-4-10(11)12/h2-5,9,11,15,17H,6-8H2,1H3,(H2,14,16)
InChIKeyBGYWABBEVOKSKP-UHFFFAOYSA-N
XLogP1.62
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.62
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-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide 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

2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020855
N-(4-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115721989
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N-(4-ethylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 115725491
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
2-[1-(3,4-dihydro-2H-chromen-4-ylamino)propyl]phenol
CID 43723838
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide (CID 77028469) is 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide is CC(CC(N)=NO)NC1CCOc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide?
The InChIKey is BGYWABBEVOKSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(8-13(14)16-17)15-11-6-7-18-12-5-3-2-4-10(11)12/h2-5,9,11,15,17H,6-8H2,1H3,(H2,14,16).
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide?
3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide has a molecular weight of 249.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77028469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).