N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide

C11H19N3O2 — CID 77031505

IUPACN'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide
SMILESCCC(NC(C)c1ccc(C)o1)C(N)=NO
InChIInChI=1S/C11H19N3O2/c1-4-9(11(12)14-15)13-8(3)10-6-5-7(2)16-10/h5-6,8-9,13,15H,4H2,1-3H3,(H2,12,14)
InChIKeyWEPVYIIAGGPRFE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.76
Rot. Bonds5

About N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide

N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide (PubChem CID 77031505) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide
PubChem CID77031505
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide
SMILESCCC(NC(C)c1ccc(C)o1)C(N)=NO
InChIInChI=1S/C11H19N3O2/c1-4-9(11(12)14-15)13-8(3)10-6-5-7(2)16-10/h5-6,8-9,13,15H,4H2,1-3H3,(H2,12,14)
InChIKeyWEPVYIIAGGPRFE-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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

N'-hydroxy-2-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114501
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 83038809
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118
2-[1-(2-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77031297
methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 43689060
(3R)-3-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 103871755
ethyl 2-[1-(5-methylfuran-2-yl)ethylamino]-2-phenylacetate
CID 103602127
N,N,4-trimethyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanamide
CID 43675082
2-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 76921566
(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651
2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 113270559

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide (CID 77031505) is N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide is CCC(NC(C)c1ccc(C)o1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide?
The InChIKey is WEPVYIIAGGPRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9(11(12)14-15)13-8(3)10-6-5-7(2)16-10/h5-6,8-9,13,15H,4H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide?
N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide has a molecular weight of 225.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-(5-methylfuran-2-yl)ethylamino]butanimidamide is sourced from PubChem (CID 77031505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).