1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine

C16H29N3OS — CID 111703279

IUPAC1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccsc1)NCCCCCOC
InChIInChI=1S/C16H29N3OS/c1-4-17-16(18-9-6-5-7-10-20-3)19-12-14(2)15-8-11-21-13-15/h8,11,13-14H,4-7,9-10,12H2,1-3H3,(H2,17,18,19)
InChIKeyCGYNEDIVRVPCAZ-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.22
Rot. Bonds10

About 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine

1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111703279) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111703279
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)c1ccsc1)NCCCCCOC
InChIInChI=1S/C16H29N3OS/c1-4-17-16(18-9-6-5-7-10-20-3)19-12-14(2)15-8-11-21-13-15/h8,11,13-14H,4-7,9-10,12H2,1-3H3,(H2,17,18,19)
InChIKeyCGYNEDIVRVPCAZ-UHFFFAOYSA-N
XLogP3.22
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

methyl 6-[[N-ethyl-N'-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]hexanoate
CID 111704364
methyl 7-[[N-ethyl-N'-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]heptanoate;hydroiodide
CID 111703799
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111704643
1-ethyl-3-(5-methoxypentyl)-2-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621799
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111703207
1-[3-(diethylamino)propyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704375
1-[2-(diethylamino)ethyl]-3-ethyl-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703565
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(2-thiophen-3-ylpropyl)guanidine
CID 111703538
propan-2-yl 3-[[N-ethyl-N'-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]propanoate
CID 111704086
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(5-methoxypentyl)guanidine;hydroiodide
CID 111654085
2-chloro-N-[2-[[N-ethyl-N'-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111704062
1-ethyl-3-[3-(4-methylpyrazol-1-yl)propyl]-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704387

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine (CID 111703279) is 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine is CCN/C(=N\CC(C)c1ccsc1)NCCCCCOC.
What is the InChIKey of 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is CGYNEDIVRVPCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-17-16(18-9-6-5-7-10-20-3)19-12-14(2)15-8-11-21-13-15/h8,11,13-14H,4-7,9-10,12H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine?
1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 311.50 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-methoxypentyl)-2-(2-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 111703279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).