2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine

C17H31N3O3 — CID 111499619

IUPAC2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCCCOCCOCC/N=C(\NCC)NCCc1ccco1
InChIInChI=1S/C17H31N3O3/c1-3-5-11-21-14-15-22-13-10-20-17(18-4-2)19-9-8-16-7-6-12-23-16/h6-7,12H,3-5,8-11,13-15H2,1-2H3,(H2,18,19,20)
InChIKeyTZLIYVUGHXDFIZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.21
Rot. Bonds13

About 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine

2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 111499619) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID111499619
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCCCOCCOCC/N=C(\NCC)NCCc1ccco1
InChIInChI=1S/C17H31N3O3/c1-3-5-11-21-14-15-22-13-10-20-17(18-4-2)19-9-8-16-7-6-12-23-16/h6-7,12H,3-5,8-11,13-15H2,1-2H3,(H2,18,19,20)
InChIKeyTZLIYVUGHXDFIZ-UHFFFAOYSA-N
XLogP2.21
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111769874
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111355559
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563
1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine
CID 111587903
1-[2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-propylguanidine;hydroiodide
CID 111494531
1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111769882
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111355524
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine
CID 110978803
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111355622

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine (CID 111499619) is 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine is CCCCOCCOCC/N=C(\NCC)NCCc1ccco1.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is TZLIYVUGHXDFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-3-5-11-21-14-15-22-13-10-20-17(18-4-2)19-9-8-16-7-6-12-23-16/h6-7,12H,3-5,8-11,13-15H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 325.45 g/mol, XLogP of 2.21, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111499619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).