1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide

C16H28IN3O — CID 110940023

IUPAC1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOC)NCCc1c(C)cc(C)cc1C.I
InChIInChI=1S/C16H27N3O.HI/c1-12-10-13(2)15(14(3)11-12)6-7-18-16(17-4)19-8-9-20-5;/h10-11H,6-9H2,1-5H3,(H2,17,18,19);1H
InChIKeyHZJAJHBNJKZOEL-UHFFFAOYSA-N
MW405.32 g/mol
LogP2.58
Rot. Bonds6

About 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide (PubChem CID 110940023) has the molecular formula C16H28IN3O and a molecular weight of 405.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide
PubChem CID110940023
Molecular FormulaC16H28IN3O
Molecular Weight405.32 g/mol
Exact Mass405.13
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOC)NCCc1c(C)cc(C)cc1C.I
InChIInChI=1S/C16H27N3O.HI/c1-12-10-13(2)15(14(3)11-12)6-7-18-16(17-4)19-8-9-20-5;/h10-11H,6-9H2,1-5H3,(H2,17,18,19);1H
InChIKeyHZJAJHBNJKZOEL-UHFFFAOYSA-N
XLogP2.58
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-(3-methoxypropyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine
CID 110974067
1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111544660
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939214
1-ethyl-3-(2-methoxyethyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine;hydroiodide
CID 110939377
1-[2-(4-ethylphenyl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111544887
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 110941362
1-[2-(2-methoxyethoxy)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111388811
1-(2-methoxyethyl)-2-methyl-3-[3-(4-methylphenoxy)propyl]guanidine
CID 110940234
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941011
1-(2-methoxyethyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110942560
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine
CID 111648670
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941409

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide (CID 110940023) is 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide is C/N=C(\NCCOC)NCCc1c(C)cc(C)cc1C.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is HZJAJHBNJKZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.HI/c1-12-10-13(2)15(14(3)11-12)6-7-18-16(17-4)19-8-9-20-5;/h10-11H,6-9H2,1-5H3,(H2,17,18,19);1H.
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 405.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110940023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).