1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide

C17H30IN3O2 — CID 111576372

IUPAC1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCOC1CCCCCC1)NCCc1ccco1.I
InChIInChI=1S/C17H29N3O2.HI/c1-18-17(19-11-10-16-9-6-13-21-16)20-12-14-22-15-7-4-2-3-5-8-15;/h6,9,13,15H,2-5,7-8,10-12,14H2,1H3,(H2,18,19,20);1H
InChIKeyPMOGNKQRHHESQB-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.34
Rot. Bonds7

About 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide

1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111576372) has the molecular formula C17H30IN3O2 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
PubChem CID111576372
Molecular FormulaC17H30IN3O2
Molecular Weight435.35 g/mol
Exact Mass435.14
IUPAC Name1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCOC1CCCCCC1)NCCc1ccco1.I
InChIInChI=1S/C17H29N3O2.HI/c1-18-17(19-11-10-16-9-6-13-21-16)20-12-14-22-15-7-4-2-3-5-8-15;/h6,9,13,15H,2-5,7-8,10-12,14H2,1H3,(H2,18,19,20);1H
InChIKeyPMOGNKQRHHESQB-UHFFFAOYSA-N
XLogP3.34
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.34
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111356346
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354416
1-(2-cycloheptyloxyethyl)-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111575540
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111355769
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111501187
2-(3-cyclohexyloxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111777431
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111564793
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111355969
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-cycloheptyloxyethyl)-2-methylguanidine;hydroiodide
CID 111576246
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111134639
1-[2-(furan-2-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111354350
1-(2-cycloheptyloxyethyl)-3-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111575926

Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide (CID 111576372) is 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide is C/N=C(/NCCOC1CCCCCC1)NCCc1ccco1.I.
What is the InChIKey of 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is PMOGNKQRHHESQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.HI/c1-18-17(19-11-10-16-9-6-13-21-16)20-12-14-22-15-7-4-2-3-5-8-15;/h6,9,13,15H,2-5,7-8,10-12,14H2,1H3,(H2,18,19,20);1H.
What are the key properties of 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide?
1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyethyl)-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111576372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).