2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide

C9H15N3O2 — CID 77029406

IUPAC2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide
SMILESCC(NC(C)c1ccco1)C(N)=NO
InChIInChI=1S/C9H15N3O2/c1-6(8-4-3-5-14-8)11-7(2)9(10)12-13/h3-7,11,13H,1-2H3,(H2,10,12)
InChIKeyQHOQMSIFYJZXNQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.07
Rot. Bonds4

About 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide

2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77029406) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide
PubChem CID77029406
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide
SMILESCC(NC(C)c1ccco1)C(N)=NO
InChIInChI=1S/C9H15N3O2/c1-6(8-4-3-5-14-8)11-7(2)9(10)12-13/h3-7,11,13H,1-2H3,(H2,10,12)
InChIKeyQHOQMSIFYJZXNQ-UHFFFAOYSA-N
XLogP1.07
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.07
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 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide 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-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
N'-hydroxy-2-[[(1S)-1-phenylethyl]amino]propanimidamide
CID 78992213
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
2-[1-(furan-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 43401095
N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
N'-hydroxy-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanimidamide
CID 81407035
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781
2-anilino-N'-hydroxypropanimidamide
CID 77025272
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 102869882

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide (CID 77029406) is 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide is CC(NC(C)c1ccco1)C(N)=NO.
What is the InChIKey of 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is QHOQMSIFYJZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(8-4-3-5-14-8)11-7(2)9(10)12-13/h3-7,11,13H,1-2H3,(H2,10,12).
What are the key properties of 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide?
2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 197.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77029406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).