1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide

C18H33IN4O2 — CID 111682643

IUPAC1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC(C)Oc1ccccc1OC)NCC(C)(C)N(C)C.I
InChIInChI=1S/C18H32N4O2.HI/c1-14(24-16-11-9-8-10-15(16)23-7)12-20-17(19-4)21-13-18(2,3)22(5)6;/h8-11,14H,12-13H2,1-7H3,(H2,19,20,21);1H
InChIKeyZQJBPYMTFRSWFE-UHFFFAOYSA-N
MW464.39 g/mol
LogP2.59
Rot. Bonds8

About 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide

1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide (PubChem CID 111682643) has the molecular formula C18H33IN4O2 and a molecular weight of 464.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
PubChem CID111682643
Molecular FormulaC18H33IN4O2
Molecular Weight464.39 g/mol
Exact Mass464.16
IUPAC Name1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC(C)Oc1ccccc1OC)NCC(C)(C)N(C)C.I
InChIInChI=1S/C18H32N4O2.HI/c1-14(24-16-11-9-8-10-15(16)23-7)12-20-17(19-4)21-13-18(2,3)22(5)6;/h8-11,14H,12-13H2,1-7H3,(H2,19,20,21);1H
InChIKeyZQJBPYMTFRSWFE-UHFFFAOYSA-N
XLogP2.59
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 52.59
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

1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682641
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111678088
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine
CID 111682632
1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111502959
1-butan-2-yl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111492013
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111682635
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111503327
1-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111494446
1-[2-[benzyl(methyl)amino]ethyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111683108
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682387
4-[[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111683212

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide (CID 111682643) is 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide is C/N=C(/NCC(C)Oc1ccccc1OC)NCC(C)(C)N(C)C.I.
What is the InChIKey of 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide?
The InChIKey is ZQJBPYMTFRSWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.HI/c1-14(24-16-11-9-8-10-15(16)23-7)12-20-17(19-4)21-13-18(2,3)22(5)6;/h8-11,14H,12-13H2,1-7H3,(H2,19,20,21);1H.
What are the key properties of 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide?
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide has a molecular weight of 464.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111682643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).