2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

C14H25IN4S — CID 110981906

IUPAC2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CC(c1cccs1)N(C)C)NCC.I
InChIInChI=1S/C14H24N4S.HI/c1-5-9-16-14(15-6-2)17-11-12(18(3)4)13-8-7-10-19-13;/h5,7-8,10,12H,1,6,9,11H2,2-4H3,(H2,15,16,17);1H
InChIKeyASWAQEVEMSMZAS-UHFFFAOYSA-N
MW408.35 g/mol
LogP2.71
Rot. Bonds7

About 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide

2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 110981906) has the molecular formula C14H25IN4S and a molecular weight of 408.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID110981906
Molecular FormulaC14H25IN4S
Molecular Weight408.35 g/mol
Exact Mass408.08
IUPAC Name2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N/CC(c1cccs1)N(C)C)NCC.I
InChIInChI=1S/C14H24N4S.HI/c1-5-9-16-14(15-6-2)17-11-12(18(3)4)13-8-7-10-19-13;/h5,7-8,10,12H,1,6,9,11H2,2-4H3,(H2,15,16,17);1H
InChIKeyASWAQEVEMSMZAS-UHFFFAOYSA-N
XLogP2.71
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 52.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110981907
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127090
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180888
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111224286
2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981952
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine
CID 111965961
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110981899
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-prop-2-enylguanidine
CID 111779424
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110982902
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910128

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide (CID 110981906) is 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N/CC(c1cccs1)N(C)C)NCC.I.
What is the InChIKey of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is ASWAQEVEMSMZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S.HI/c1-5-9-16-14(15-6-2)17-11-12(18(3)4)13-8-7-10-19-13;/h5,7-8,10,12H,1,6,9,11H2,2-4H3,(H2,15,16,17);1H.
What are the key properties of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide?
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 408.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110981906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).