1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine

C19H28N4S — CID 109403776

IUPAC1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)c1cccs1)NCCc1ccncc1C
InChIInChI=1S/C19H28N4S/c1-5-21-18(22-11-9-16-8-10-20-13-15(16)2)23-14-19(3,4)17-7-6-12-24-17/h6-8,10,12-13H,5,9,11,14H2,1-4H3,(H2,21,22,23)
InChIKeyHNVWGTMKVSZRLP-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.53
Rot. Bonds7

About 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine

1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine (PubChem CID 109403776) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
PubChem CID109403776
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC Name1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)c1cccs1)NCCc1ccncc1C
InChIInChI=1S/C19H28N4S/c1-5-21-18(22-11-9-16-8-10-20-13-15(16)2)23-14-19(3,4)17-7-6-12-24-17/h6-8,10,12-13H,5,9,11,14H2,1-4H3,(H2,21,22,23)
InChIKeyHNVWGTMKVSZRLP-UHFFFAOYSA-N
XLogP3.53
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.53
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'}

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Related Compounds

1-ethyl-3-(2-hydroxyethyl)-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111985237
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 109418917
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 109402082
N-[2-[[N-ethyl-N'-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111581369
1-ethyl-2-(2-methylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109401423
2-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109404265
1-(3-ethoxypropyl)-3-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111581135
1-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111581471
tert-butyl N-[2-[[N-ethyl-N'-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]carbamate
CID 111581756
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 109403505
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399204
tert-butyl N-[2-[[N-ethyl-N'-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111581755

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine (CID 109403776) is 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)c1cccs1)NCCc1ccncc1C.
What is the InChIKey of 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The InChIKey is HNVWGTMKVSZRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c1-5-21-18(22-11-9-16-8-10-20-13-15(16)2)23-14-19(3,4)17-7-6-12-24-17/h6-8,10,12-13H,5,9,11,14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine has a molecular weight of 344.53 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 109403776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).