2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

C20H38IN5OS — CID 110971688

IUPAC2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccsc1)N(CC)CC)NCCCN1CCOCC1.I
InChIInChI=1S/C20H37N5OS.HI/c1-4-21-20(22-9-7-10-24-11-13-26-14-12-24)23-16-19(25(5-2)6-3)18-8-15-27-17-18;/h8,15,17,19H,4-7,9-14,16H2,1-3H3,(H2,21,22,23);1H
InChIKeyJKDGZUHXPTUSMK-UHFFFAOYSA-N
MW523.53 g/mol
LogP3.03
Rot. Bonds11

About 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 110971688) has the molecular formula C20H38IN5OS and a molecular weight of 523.53 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID110971688
Molecular FormulaC20H38IN5OS
Molecular Weight523.53 g/mol
Exact Mass523.18
IUPAC Name2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(c1ccsc1)N(CC)CC)NCCCN1CCOCC1.I
InChIInChI=1S/C20H37N5OS.HI/c1-4-21-20(22-9-7-10-24-11-13-26-14-12-24)23-16-19(25(5-2)6-3)18-8-15-27-17-18;/h8,15,17,19H,4-7,9-14,16H2,1-3H3,(H2,21,22,23);1H
InChIKeyJKDGZUHXPTUSMK-UHFFFAOYSA-N
XLogP3.03
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(diethylamino)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971690
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474791
N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
CID 75511956
2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
2-[2-(diethylamino)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187880
2-(2,2-diphenylethyl)-1-ethyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111357126
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972491
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(2-phenoxypropyl)guanidine;hydroiodide
CID 111547812
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972920
1-ethyl-2-[2-(4-methylphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111547712
1-ethyl-2-[2-(4-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111547790
1-ethyl-2-(2-methyl-3-thiophen-2-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111674389

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 110971688) is 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(c1ccsc1)N(CC)CC)NCCCN1CCOCC1.I.
What is the InChIKey of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is JKDGZUHXPTUSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5OS.HI/c1-4-21-20(22-9-7-10-24-11-13-26-14-12-24)23-16-19(25(5-2)6-3)18-8-15-27-17-18;/h8,15,17,19H,4-7,9-14,16H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 523.53 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110971688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).