2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide

C17H32IN3O2 — CID 111035557

IUPAC2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CCCOCc1ccco1.I
InChIInChI=1S/C17H31N3O2.HI/c1-14(2)7-4-8-15(3)20-17(18)19-10-6-11-21-13-16-9-5-12-22-16;/h5,9,12,14-15H,4,6-8,10-11,13H2,1-3H3,(H3,18,19,20);1H
InChIKeyWFCWTAXSSCZFHR-UHFFFAOYSA-N
MW437.37 g/mol
LogP3.92
Rot. Bonds11

About 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide

2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide (PubChem CID 111035557) has the molecular formula C17H32IN3O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
PubChem CID111035557
Molecular FormulaC17H32IN3O2
Molecular Weight437.37 g/mol
Exact Mass437.15
IUPAC Name2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CCCOCc1ccco1.I
InChIInChI=1S/C17H31N3O2.HI/c1-14(2)7-4-8-15(3)20-17(18)19-10-6-11-21-13-16-9-5-12-22-16;/h5,9,12,14-15H,4,6-8,10-11,13H2,1-3H3,(H3,18,19,20);1H
InChIKeyWFCWTAXSSCZFHR-UHFFFAOYSA-N
XLogP3.92
TPSA72.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.92
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

2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111058215
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
1-(6-methylheptan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111767978
2-[3-(furan-2-ylmethoxy)propyl]-1-(3-phenoxyphenyl)guanidine
CID 111597860
2-[3-(2-phenylmethoxyethoxy)propyl]-1-propan-2-ylguanidine;hydroiodide
CID 110018543
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111247939
N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143765
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine
CID 110978803
1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111173565
N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443412
2-(3-benzylsulfonylpropyl)-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111065197

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide (CID 111035557) is 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide is CC(C)CCCC(C)N/C(N)=N/CCCOCc1ccco1.I.
What is the InChIKey of 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The InChIKey is WFCWTAXSSCZFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.HI/c1-14(2)7-4-8-15(3)20-17(18)19-10-6-11-21-13-16-9-5-12-22-16;/h5,9,12,14-15H,4,6-8,10-11,13H2,1-3H3,(H3,18,19,20);1H.
What are the key properties of 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide has a molecular weight of 437.37 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111035557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).