N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide

C8H13IN2O2 — CID 130666162

IUPACN'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide
SMILESC/C(N)=N\CC(O)c1ccco1.I
InChIInChI=1S/C8H12N2O2.HI/c1-6(9)10-5-7(11)8-3-2-4-12-8;/h2-4,7,11H,5H2,1H3,(H2,9,10);1H
InChIKeyNTWUOYJXZHVUHP-UHFFFAOYSA-N
MW296.11 g/mol
LogP1.31
Rot. Bonds3

About N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide

N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide (PubChem CID 130666162) has the molecular formula C8H13IN2O2 and a molecular weight of 296.11 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide
PubChem CID130666162
Molecular FormulaC8H13IN2O2
Molecular Weight296.11 g/mol
Exact Mass296.00
IUPAC NameN'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide
SMILESC/C(N)=N\CC(O)c1ccco1.I
InChIInChI=1S/C8H12N2O2.HI/c1-6(9)10-5-7(11)8-3-2-4-12-8;/h2-4,7,11H,5H2,1H3,(H2,9,10);1H
InChIKeyNTWUOYJXZHVUHP-UHFFFAOYSA-N
XLogP1.31
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058198
2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111058215
N'-[2-(furan-2-yl)-2-hydroxyethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111058255
1-butyl-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111152199
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-pentylguanidine;hydroiodide
CID 111130445
1-(4-butan-2-ylphenyl)-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058194
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
1-(furan-2-yl)-4-methylpent-3-en-1-ol
CID 15350980

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide?
The IUPAC name of N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide (CID 130666162) is N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide.
What is the SMILES notation for N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide?
The canonical SMILES for N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide is C/C(N)=N\CC(O)c1ccco1.I.
What is the InChIKey of N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide?
The InChIKey is NTWUOYJXZHVUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.HI/c1-6(9)10-5-7(11)8-3-2-4-12-8;/h2-4,7,11H,5H2,1H3,(H2,9,10);1H.
What are the key properties of N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide?
N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide has a molecular weight of 296.11 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide is sourced from PubChem (CID 130666162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).