1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine

C16H29N3O2 — CID 111128283

IUPAC1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
SMILESCCCCCN/C(=N/CCCOCc1ccco1)NCC
InChIInChI=1S/C16H29N3O2/c1-3-5-6-10-18-16(17-4-2)19-11-8-12-20-14-15-9-7-13-21-15/h7,9,13H,3-6,8,10-12,14H2,1-2H3,(H2,17,18,19)
InChIKeyREQGRWLZLLUDOT-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.93
Rot. Bonds11

About 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine

1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine (PubChem CID 111128283) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
PubChem CID111128283
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
SMILESCCCCCN/C(=N/CCCOCc1ccco1)NCC
InChIInChI=1S/C16H29N3O2/c1-3-5-6-10-18-16(17-4-2)19-11-8-12-20-14-15-9-7-13-21-15/h7,9,13H,3-6,8,10-12,14H2,1-2H3,(H2,17,18,19)
InChIKeyREQGRWLZLLUDOT-UHFFFAOYSA-N
XLogP2.93
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.93
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

1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111840013
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111247939
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111400152
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399050
N-[2-[[N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111399205
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938717
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111399243
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111400063
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399076
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111169126
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111388055
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647240

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine?
The IUPAC name of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine (CID 111128283) is 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine.
What is the SMILES notation for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine?
The canonical SMILES for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine is CCCCCN/C(=N/CCCOCc1ccco1)NCC.
What is the InChIKey of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine?
The InChIKey is REQGRWLZLLUDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-5-6-10-18-16(17-4-2)19-11-8-12-20-14-15-9-7-13-21-15/h7,9,13H,3-6,8,10-12,14H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine?
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine has a molecular weight of 295.43 g/mol, XLogP of 2.93, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine is sourced from PubChem (CID 111128283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).