2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine

C21H34N4O3 — CID 111398897

IUPAC2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N(CC)CC)NCCCOCc1ccco1
InChIInChI=1S/C21H34N4O3/c1-4-22-21(23-12-9-13-26-17-18-10-7-14-27-18)24-16-19(25(5-2)6-3)20-11-8-15-28-20/h7-8,10-11,14-15,19H,4-6,9,12-13,16-17H2,1-3H3,(H2,22,23,24)
InChIKeyCXCKIDHSCUBNRK-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.42
Rot. Bonds13

About 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine

2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine (PubChem CID 111398897) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
PubChem CID111398897
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
SMILESCCN/C(=N\CC(c1ccco1)N(CC)CC)NCCCOCc1ccco1
InChIInChI=1S/C21H34N4O3/c1-4-22-21(23-12-9-13-26-17-18-10-7-14-27-18)24-16-19(25(5-2)6-3)20-11-8-15-28-20/h7-8,10-11,14-15,19H,4-6,9,12-13,16-17H2,1-3H3,(H2,22,23,24)
InChIKeyCXCKIDHSCUBNRK-UHFFFAOYSA-N
XLogP3.42
TPSA75.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404746
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111693769
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788796
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenylpropyl)guanidine
CID 111343385
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938717
2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111399591
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111399297
1-tert-butyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
CID 110964281
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111519140
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111400290
ethyl N-[1-cyclopropyl-2-[[ethylamino-[3-(furan-2-ylmethoxy)propylamino]methylidene]amino]ethyl]carbamate
CID 111832086

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The IUPAC name of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine (CID 111398897) is 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The canonical SMILES for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine is CCN/C(=N\CC(c1ccco1)N(CC)CC)NCCCOCc1ccco1.
What is the InChIKey of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
The InChIKey is CXCKIDHSCUBNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-4-22-21(23-12-9-13-26-17-18-10-7-14-27-18)24-16-19(25(5-2)6-3)20-11-8-15-28-20/h7-8,10-11,14-15,19H,4-6,9,12-13,16-17H2,1-3H3,(H2,22,23,24).
What are the key properties of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine?
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine has a molecular weight of 390.53 g/mol, XLogP of 3.42, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111398897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).