1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide

C11H19I2N3S — CID 111098720

IUPAC1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCc1ccc(I)s1.I
InChIInChI=1S/C11H18IN3S.HI/c1-3-15(4-2)11(13)14-8-7-9-5-6-10(12)16-9;/h5-6H,3-4,7-8H2,1-2H3,(H2,13,14);1H
InChIKeyUGQFXUALPRYKBL-UHFFFAOYSA-N
MW479.17 g/mol
LogP3.17
Rot. Bonds5

About 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide

1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 111098720) has the molecular formula C11H19I2N3S and a molecular weight of 479.17 g/mol. Its IUPAC name is 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide
PubChem CID111098720
Molecular FormulaC11H19I2N3S
Molecular Weight479.17 g/mol
Exact Mass478.94
IUPAC Name1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCc1ccc(I)s1.I
InChIInChI=1S/C11H18IN3S.HI/c1-3-15(4-2)11(13)14-8-7-9-5-6-10(12)16-9;/h5-6H,3-4,7-8H2,1-2H3,(H2,13,14);1H
InChIKeyUGQFXUALPRYKBL-UHFFFAOYSA-N
XLogP3.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.17
LogP ≤ 53.17
H-Bond Donors ≤ 51
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

2-[2-(5-bromothiophen-2-yl)ethyl]-1,1-diethylguanidine
CID 111039489
2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide
CID 110930600
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
1-ethyl-2-[2-(5-iodothiophen-2-yl)ethyl]-3-prop-2-enylguanidine
CID 136925952
1,1-diethyl-2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111095161
2-[2-(3-bromo-4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111076008
1,1-diethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111820935
1-[2-(5-iodothiophen-2-yl)ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111098704
1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide
CID 111035152
2-[(4-tert-butylphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111045461
1,1-diethyl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111809481
1,1-diethyl-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine;hydroiodide
CID 111811915

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide (CID 111098720) is 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/CCc1ccc(I)s1.I.
What is the InChIKey of 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is UGQFXUALPRYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3S.HI/c1-3-15(4-2)11(13)14-8-7-9-5-6-10(12)16-9;/h5-6H,3-4,7-8H2,1-2H3,(H2,13,14);1H.
What are the key properties of 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide?
1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 479.17 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[2-(5-iodothiophen-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111098720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).