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

C23H35IN4O — CID 109408986

IUPAC2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(Cc1ccccc1)N(C)C)NCC(CO)c1ccccc1.I
InChIInChI=1S/C23H34N4O.HI/c1-4-24-23(25-16-21(18-28)20-13-9-6-10-14-20)26-17-22(27(2)3)15-19-11-7-5-8-12-19;/h5-14,21-22,28H,4,15-18H2,1-3H3,(H2,24,25,26);1H
InChIKeyDTPGOCBZZLLJMW-UHFFFAOYSA-N
MW510.46 g/mol
LogP3.11
Rot. Bonds10

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

2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide (PubChem CID 109408986) has the molecular formula C23H35IN4O and a molecular weight of 510.46 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
PubChem CID109408986
Molecular FormulaC23H35IN4O
Molecular Weight510.46 g/mol
Exact Mass510.19
IUPAC Name2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(Cc1ccccc1)N(C)C)NCC(CO)c1ccccc1.I
InChIInChI=1S/C23H34N4O.HI/c1-4-24-23(25-16-21(18-28)20-13-9-6-10-14-20)26-17-22(27(2)3)15-19-11-7-5-8-12-19;/h5-14,21-22,28H,4,15-18H2,1-3H3,(H2,24,25,26);1H
InChIKeyDTPGOCBZZLLJMW-UHFFFAOYSA-N
XLogP3.11
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.46
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-3-phenylpropyl]-1,3-diethylguanidine
CID 110924766
2-[2-(dimethylamino)-4-methylpentyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine
CID 109410655
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109408241
2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981952
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-[2-(dimethylamino)-3-phenylpropyl]-3-ethylguanidine
CID 111702248
2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide
CID 109389545
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
2-[[ethylamino-[(3-hydroxy-2-phenylpropyl)amino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 109410353
1-[3-(dimethylamino)propyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109410710
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(1-methylpyrrol-3-yl)methyl]guanidine;hydroiodide
CID 109410964
2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283552
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 109408465

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide (CID 109408986) is 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(Cc1ccccc1)N(C)C)NCC(CO)c1ccccc1.I.
What is the InChIKey of 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide?
The InChIKey is DTPGOCBZZLLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O.HI/c1-4-24-23(25-16-21(18-28)20-13-9-6-10-14-20)26-17-22(27(2)3)15-19-11-7-5-8-12-19;/h5-14,21-22,28H,4,15-18H2,1-3H3,(H2,24,25,26);1H.
What are the key properties of 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide?
2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide has a molecular weight of 510.46 g/mol, XLogP of 3.11, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 109408986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).