2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide

C19H35IN4 — CID 111947772

IUPAC2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N(C)C)NCC(C)(C)c1ccccc1.I
InChIInChI=1S/C19H34N4.HI/c1-8-20-17(22-15-19(4,5)23(6)7)21-14-18(2,3)16-12-10-9-11-13-16;/h9-13H,8,14-15H2,1-7H3,(H2,20,21,22);1H
InChIKeyJQCIWZYEJHCWHF-UHFFFAOYSA-N
MW446.42 g/mol
LogP3.48
Rot. Bonds7

About 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide

2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide (PubChem CID 111947772) has the molecular formula C19H35IN4 and a molecular weight of 446.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
PubChem CID111947772
Molecular FormulaC19H35IN4
Molecular Weight446.42 g/mol
Exact Mass446.19
IUPAC Name2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N(C)C)NCC(C)(C)c1ccccc1.I
InChIInChI=1S/C19H34N4.HI/c1-8-20-17(22-15-19(4,5)23(6)7)21-14-18(2,3)16-12-10-9-11-13-16;/h9-13H,8,14-15H2,1-7H3,(H2,20,21,22);1H
InChIKeyJQCIWZYEJHCWHF-UHFFFAOYSA-N
XLogP3.48
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-hydroxy-2-phenylpropyl)guanidine
CID 109418550
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111607614
2-benzyl-1-[2-(dimethylamino)-2-methylpropyl]-3-ethylguanidine
CID 110953942
1-ethyl-2-(2-methyl-2-phenylpropyl)-3-propylguanidine;hydroiodide
CID 111225902
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110949344
1,3-diethyl-2-(2-hydroxy-2-phenylpropyl)guanidine
CID 111335969
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111947985
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111672407
1-ethyl-3-(2-methyl-2-phenylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014498
1-ethyl-3-(2-methyl-2-phenylpropyl)-2-[(4-sulfamoylphenyl)methyl]guanidine
CID 111948233
1-(cyclopropylmethyl)-3-ethyl-2-(2-methyl-2-phenylpropyl)guanidine
CID 111868436
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 86770914

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide (CID 111947772) is 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(C)N(C)C)NCC(C)(C)c1ccccc1.I.
What is the InChIKey of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is JQCIWZYEJHCWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4.HI/c1-8-20-17(22-15-19(4,5)23(6)7)21-14-18(2,3)16-12-10-9-11-13-16;/h9-13H,8,14-15H2,1-7H3,(H2,20,21,22);1H.
What are the key properties of 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide?
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 446.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111947772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).