2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

C15H29IN4O2 — CID 111078422

IUPAC2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN(CC)C(C/N=C(\N)NC(C)COC)c1ccco1.I
InChIInChI=1S/C15H28N4O2.HI/c1-5-19(6-2)13(14-8-7-9-21-14)10-17-15(16)18-12(3)11-20-4;/h7-9,12-13H,5-6,10-11H2,1-4H3,(H3,16,17,18);1H
InChIKeyFYRXWFPBJHSHHT-UHFFFAOYSA-N
MW424.33 g/mol
LogP2.22
Rot. Bonds9

About 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111078422) has the molecular formula C15H29IN4O2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111078422
Molecular FormulaC15H29IN4O2
Molecular Weight424.33 g/mol
Exact Mass424.13
IUPAC Name2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN(CC)C(C/N=C(\N)NC(C)COC)c1ccco1.I
InChIInChI=1S/C15H28N4O2.HI/c1-5-19(6-2)13(14-8-7-9-21-14)10-17-15(16)18-12(3)11-20-4;/h7-9,12-13H,5-6,10-11H2,1-4H3,(H3,16,17,18);1H
InChIKeyFYRXWFPBJHSHHT-UHFFFAOYSA-N
XLogP2.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111037548
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111078347
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111074176
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404746
2-[[4-(diethylaminomethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111036143
1-(1-methoxypropan-2-yl)-2-(2-phenoxypropyl)guanidine
CID 111801514
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111693769
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053110
2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111058215
2-[(2-ethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044339
1-tert-butyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
CID 110964281
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110973260

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111078422) is 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is CCN(CC)C(C/N=C(\N)NC(C)COC)c1ccco1.I.
What is the InChIKey of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is FYRXWFPBJHSHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.HI/c1-5-19(6-2)13(14-8-7-9-21-14)10-17-15(16)18-12(3)11-20-4;/h7-9,12-13H,5-6,10-11H2,1-4H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 424.33 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111078422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).