2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide

C8H14IN3O — CID 119038953

IUPAC2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
SMILESCc1ccc(CCN=C(N)N)o1.I
InChIInChI=1S/C8H13N3O.HI/c1-6-2-3-7(12-6)4-5-11-8(9)10;/h2-3H,4-5H2,1H3,(H4,9,10,11);1H
InChIKeyVXTBDCFVMPBZAZ-UHFFFAOYSA-N
MW295.12 g/mol
LogP1.02
Rot. Bonds3

About 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide

2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 119038953) has the molecular formula C8H14IN3O and a molecular weight of 295.12 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
PubChem CID119038953
Molecular FormulaC8H14IN3O
Molecular Weight295.12 g/mol
Exact Mass295.02
IUPAC Name2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
SMILESCc1ccc(CCN=C(N)N)o1.I
InChIInChI=1S/C8H13N3O.HI/c1-6-2-3-7(12-6)4-5-11-8(9)10;/h2-3H,4-5H2,1H3,(H4,9,10,11);1H
InChIKeyVXTBDCFVMPBZAZ-UHFFFAOYSA-N
XLogP1.02
TPSA77.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 21213
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
7-(5-methylfuran-2-yl)-4-oxoheptanamide
CID 163809380
[3-(5-methylfuran-2-yl)propylideneamino]thiourea
CID 3132389
azane;(5-methylfuran-2-yl)methanol
CID 175565780
10-(5-methylfuran-2-yl)decane-2,5,8-trione
CID 154620502
3-(5-methylfuran-2-yl)propane-1-thiol
CID 83694727
2-(5-methylfuran-2-yl)ethanimidamide
CID 83676174
2-[2-(5-methylfuran-2-yl)ethylamino]ethanol
CID 115216331
3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 116513240
5-methyl-N'-propylfuran-2-carboximidamide
CID 141461978

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide (CID 119038953) is 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide is Cc1ccc(CCN=C(N)N)o1.I.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is VXTBDCFVMPBZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.HI/c1-6-2-3-7(12-6)4-5-11-8(9)10;/h2-3H,4-5H2,1H3,(H4,9,10,11);1H.
What are the key properties of 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide?
2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 295.12 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 119038953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).