3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide

C11H19N3O2 — CID 77031154

IUPAC3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide
SMILESCc1cc(C(C)NCCC(N)=NO)c(C)o1
InChIInChI=1S/C11H19N3O2/c1-7-6-10(9(3)16-7)8(2)13-5-4-11(12)14-15/h6,8,13,15H,4-5H2,1-3H3,(H2,12,14)
InChIKeyFRESYJVQOKVDQM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.68
Rot. Bonds5

About 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide

3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77031154) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide
PubChem CID77031154
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide
SMILESCc1cc(C(C)NCCC(N)=NO)c(C)o1
InChIInChI=1S/C11H19N3O2/c1-7-6-10(9(3)16-7)8(2)13-5-4-11(12)14-15/h6,8,13,15H,4-5H2,1-3H3,(H2,12,14)
InChIKeyFRESYJVQOKVDQM-UHFFFAOYSA-N
XLogP1.68
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.68
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'}

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Related Compounds

2-[1-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070871
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
CID 64913851
5-[1-(2,5-dimethylfuran-3-yl)ethylamino]pentanoic acid
CID 103246101
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
methyl 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanoate
CID 54920642
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
CID 81378564
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylguanidine
CID 62361367
ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
CID 60812257
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43121361

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide (CID 77031154) is 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide is Cc1cc(C(C)NCCC(N)=NO)c(C)o1.
What is the InChIKey of 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is FRESYJVQOKVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-6-10(9(3)16-7)8(2)13-5-4-11(12)14-15/h6,8,13,15H,4-5H2,1-3H3,(H2,12,14).
What are the key properties of 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide?
3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 225.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77031154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).