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

C17H31N3O2 — CID 110978803

IUPAC2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine
SMILESCCOCCC/N=C(/NCCc1ccco1)NCCC(C)C
InChIInChI=1S/C17H31N3O2/c1-4-21-13-6-10-18-17(19-11-8-15(2)3)20-12-9-16-7-5-14-22-16/h5,7,14-15H,4,6,8-13H2,1-3H3,(H2,18,19,20)
InChIKeyUJHQNLYKOSNBSW-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.83
Rot. Bonds11

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

2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine (PubChem CID 110978803) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine
PubChem CID110978803
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine
SMILESCCOCCC/N=C(/NCCc1ccco1)NCCC(C)C
InChIInChI=1S/C17H31N3O2/c1-4-21-13-6-10-18-17(19-11-8-15(2)3)20-12-9-16-7-5-14-22-16/h5,7,14-15H,4,6,8-13H2,1-3H3,(H2,18,19,20)
InChIKeyUJHQNLYKOSNBSW-UHFFFAOYSA-N
XLogP2.83
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.83
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

2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002246
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-piperidin-1-ylbutyl)guanidine
CID 110052134
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110052133
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)guanidine;hydroiodide
CID 111355367
1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236678
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340273
1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111777415
1-[2-(6-chloro-3-pyridinyl)ethyl]-2-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 110050816
2-(3-ethoxypropyl)-1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111516802
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111146165
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111499619

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine (CID 110978803) is 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine is CCOCCC/N=C(/NCCc1ccco1)NCCC(C)C.
What is the InChIKey of 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine?
The InChIKey is UJHQNLYKOSNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-21-13-6-10-18-17(19-11-8-15(2)3)20-12-9-16-7-5-14-22-16/h5,7,14-15H,4,6,8-13H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine?
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine has a molecular weight of 309.45 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine is sourced from PubChem (CID 110978803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).