1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide

C19H34IN3O2 — CID 111544662

IUPAC1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOC)NCC(C)(C)c1ccc(OCC(C)C)cc1.I
InChIInChI=1S/C19H33N3O2.HI/c1-15(2)13-24-17-9-7-16(8-10-17)19(3,4)14-22-18(20-5)21-11-12-23-6;/h7-10,15H,11-14H2,1-6H3,(H2,20,21,22);1H
InChIKeyUVRYOJZJTPOCMN-UHFFFAOYSA-N
MW463.40 g/mol
LogP3.43
Rot. Bonds9

About 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide

1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide (PubChem CID 111544662) has the molecular formula C19H34IN3O2 and a molecular weight of 463.40 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
PubChem CID111544662
Molecular FormulaC19H34IN3O2
Molecular Weight463.40 g/mol
Exact Mass463.17
IUPAC Name1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
SMILESC/N=C(\NCCOC)NCC(C)(C)c1ccc(OCC(C)C)cc1.I
InChIInChI=1S/C19H33N3O2.HI/c1-15(2)13-24-17-9-7-16(8-10-17)19(3,4)14-22-18(20-5)21-11-12-23-6;/h7-10,15H,11-14H2,1-6H3,(H2,20,21,22);1H
InChIKeyUVRYOJZJTPOCMN-UHFFFAOYSA-N
XLogP3.43
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.40
LogP ≤ 53.43
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-methyl-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111107736
1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180040
(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
CID 86813594
tert-butyl N-[2-[[N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884456
1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine
CID 110940214
tert-butyl N-[3-[[N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886602
1-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179684
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110940455
2-[[ethylamino-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111839083
1-(2-methoxyethyl)-2-methyl-3-[3-(4-methylphenoxy)propyl]guanidine
CID 110940234
1-(cyclopropylmethyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methylguanidine
CID 111868638
2-methyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 95445371

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide (CID 111544662) is 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide is C/N=C(\NCCOC)NCC(C)(C)c1ccc(OCC(C)C)cc1.I.
What is the InChIKey of 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide?
The InChIKey is UVRYOJZJTPOCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2.HI/c1-15(2)13-24-17-9-7-16(8-10-17)19(3,4)14-22-18(20-5)21-11-12-23-6;/h7-10,15H,11-14H2,1-6H3,(H2,20,21,22);1H.
What are the key properties of 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide?
1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide has a molecular weight of 463.40 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide is sourced from PubChem (CID 111544662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).