1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

C19H30IN5S — CID 110968115

IUPAC1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccn1)NCC(c1ccsc1)N(CC)CC.I
InChIInChI=1S/C19H29N5S.HI/c1-4-20-19(22-13-17-9-7-8-11-21-17)23-14-18(24(5-2)6-3)16-10-12-25-15-16;/h7-12,15,18H,4-6,13-14H2,1-3H3,(H2,20,22,23);1H
InChIKeyMUWUAQDOJGJSPP-UHFFFAOYSA-N
MW487.46 g/mol
LogP3.90
Rot. Bonds9

About 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110968115) has the molecular formula C19H30IN5S and a molecular weight of 487.46 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID110968115
Molecular FormulaC19H30IN5S
Molecular Weight487.46 g/mol
Exact Mass487.13
IUPAC Name1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccn1)NCC(c1ccsc1)N(CC)CC.I
InChIInChI=1S/C19H29N5S.HI/c1-4-20-19(22-13-17-9-7-8-11-21-17)23-14-18(24(5-2)6-3)16-10-12-25-15-16;/h7-12,15,18H,4-6,13-14H2,1-3H3,(H2,20,22,23);1H
InChIKeyMUWUAQDOJGJSPP-UHFFFAOYSA-N
XLogP3.90
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111013664
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111013665
1-ethyl-3-(2-ethylbutyl)-2-(pyridin-2-ylmethyl)guanidine
CID 111547627
1-[2-(diethylamino)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969393
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969673
1-[2-(dimethylamino)-3-phenylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969991
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111011012
1-[2-(dimethylamino)-2-phenylethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940904
1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970221
1-[2-(dimethylamino)-3-phenylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969992
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 111964105

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 110968115) is 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccccn1)NCC(c1ccsc1)N(CC)CC.I.
What is the InChIKey of 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is MUWUAQDOJGJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5S.HI/c1-4-20-19(22-13-17-9-7-8-11-21-17)23-14-18(24(5-2)6-3)16-10-12-25-15-16;/h7-12,15,18H,4-6,13-14H2,1-3H3,(H2,20,22,23);1H.
What are the key properties of 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 487.46 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110968115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).