2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide

C15H29IN4S — CID 111054972

IUPAC2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(c1ccsc1)N(CC)CC.I
InChIInChI=1S/C15H28N4S.HI/c1-5-18(6-2)14(13-9-10-20-12-13)11-17-15(16)19(7-3)8-4;/h9-10,12,14H,5-8,11H2,1-4H3,(H2,16,17);1H
InChIKeyDVTMBHMVJWIDKU-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.41
Rot. Bonds8

About 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide

2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide (PubChem CID 111054972) has the molecular formula C15H29IN4S and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide
PubChem CID111054972
Molecular FormulaC15H29IN4S
Molecular Weight424.40 g/mol
Exact Mass424.12
IUPAC Name2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(c1ccsc1)N(CC)CC.I
InChIInChI=1S/C15H28N4S.HI/c1-5-18(6-2)14(13-9-10-20-12-13)11-17-15(16)19(7-3)8-4;/h9-10,12,14H,5-8,11H2,1-4H3,(H2,16,17);1H
InChIKeyDVTMBHMVJWIDKU-UHFFFAOYSA-N
XLogP3.41
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
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'}

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Related Compounds

N'-[2-(diethylamino)-2-thiophen-3-ylethyl]morpholine-4-carboximidamide;hydroiodide
CID 75511956
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474791
4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962529
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111056502
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189178
2-(diethylamino)-2-thiophen-3-ylethanethioamide
CID 84758197
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971688
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471098
1-[(2-amino-1-thiophen-3-ylethyl)-ethylamino]-2-methylpropan-2-ol
CID 79384592
4-[[[2-(diethylamino)-2-thiophen-3-ylethyl]amino]methyl]benzamide
CID 51086143
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
3-[2-[[N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669666

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide (CID 111054972) is 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide is CCN(CC)/C(N)=N/CC(c1ccsc1)N(CC)CC.I.
What is the InChIKey of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide?
The InChIKey is DVTMBHMVJWIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S.HI/c1-5-18(6-2)14(13-9-10-20-12-13)11-17-15(16)19(7-3)8-4;/h9-10,12,14H,5-8,11H2,1-4H3,(H2,16,17);1H.
What are the key properties of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide?
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide has a molecular weight of 424.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,1-diethylguanidine;hydroiodide is sourced from PubChem (CID 111054972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).