2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine

C18H33N3O3 — CID 111499651

IUPAC2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
SMILESCCCCOCCOCC/N=C(\NCC)NC(C)c1ccc(C)o1
InChIInChI=1S/C18H33N3O3/c1-5-7-11-22-13-14-23-12-10-20-18(19-6-2)21-16(4)17-9-8-15(3)24-17/h8-9,16H,5-7,10-14H2,1-4H3,(H2,19,20,21)
InChIKeyDKBFKMGGHITIJE-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.04
Rot. Bonds12

About 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine

2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine (PubChem CID 111499651) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
PubChem CID111499651
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
SMILESCCCCOCCOCC/N=C(\NCC)NC(C)c1ccc(C)o1
InChIInChI=1S/C18H33N3O3/c1-5-7-11-22-13-14-23-12-10-20-18(19-6-2)21-16(4)17-9-8-15(3)24-17/h8-9,16H,5-7,10-14H2,1-4H3,(H2,19,20,21)
InChIKeyDKBFKMGGHITIJE-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.04
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-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111499647
2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950161
N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 75371796
2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111366520
2-(2-butoxyethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111238012
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111499619
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111693716
2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111366459
1-ethyl-2-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111366493
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(1-phenylethyl)guanidine
CID 110949254
2-(3-butoxypropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111235657
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-(3-methylbutyl)guanidine
CID 111494992

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine (CID 111499651) is 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine is CCCCOCCOCC/N=C(\NCC)NC(C)c1ccc(C)o1.
What is the InChIKey of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
The InChIKey is DKBFKMGGHITIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-5-7-11-22-13-14-23-12-10-20-18(19-6-2)21-16(4)17-9-8-15(3)24-17/h8-9,16H,5-7,10-14H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine?
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine has a molecular weight of 339.48 g/mol, XLogP of 3.04, 12 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-[1-(5-methylfuran-2-yl)ethyl]guanidine is sourced from PubChem (CID 111499651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).