1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide

C18H33IN4 — CID 111228014

IUPAC1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCC(Cc1ccccc1)N(CC)CC.I
InChIInChI=1S/C18H32N4.HI/c1-5-13-20-18(19-4)21-15-17(22(6-2)7-3)14-16-11-9-8-10-12-16;/h8-12,17H,5-7,13-15H2,1-4H3,(H2,19,20,21);1H
InChIKeyRDEOMJMQULPNOI-UHFFFAOYSA-N
MW432.39 g/mol
LogP3.13
Rot. Bonds9

About 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide

1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide (PubChem CID 111228014) has the molecular formula C18H33IN4 and a molecular weight of 432.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide
PubChem CID111228014
Molecular FormulaC18H33IN4
Molecular Weight432.39 g/mol
Exact Mass432.17
IUPAC Name1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCC(Cc1ccccc1)N(CC)CC.I
InChIInChI=1S/C18H32N4.HI/c1-5-13-20-18(19-4)21-15-17(22(6-2)7-3)14-16-11-9-8-10-12-16;/h8-12,17H,5-7,13-15H2,1-4H3,(H2,19,20,21);1H
InChIKeyRDEOMJMQULPNOI-UHFFFAOYSA-N
XLogP3.13
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 53.13
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

1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111896242
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782695
tert-butyl N-[2-[[N-[2-(dimethylamino)-3-phenylpropyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884968
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109408241
1-[2-(dimethylamino)-3-phenylpropyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401350
1-[2-(dimethylamino)-3-phenylpropyl]-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine;hydroiodide
CID 111613837
1-(2-anilino-3-methylbutyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226682
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
1-[2-(dimethylamino)-3-phenylpropyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111405325
1-[2-(dimethylamino)-3-phenylpropyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111243533
1-[2-(diethylamino)-2-phenylethyl]-3-[3-(dimethylamino)propyl]-2-methylguanidine;hydroiodide
CID 111010920
1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-methoxy-3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 111710350

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide (CID 111228014) is 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCC(Cc1ccccc1)N(CC)CC.I.
What is the InChIKey of 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide?
The InChIKey is RDEOMJMQULPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4.HI/c1-5-13-20-18(19-4)21-15-17(22(6-2)7-3)14-16-11-9-8-10-12-16;/h8-12,17H,5-7,13-15H2,1-4H3,(H2,19,20,21);1H.
What are the key properties of 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide?
1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide has a molecular weight of 432.39 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-3-phenylpropyl]-2-methyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111228014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).