2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide

C17H31IN4O — CID 111037503

IUPAC2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(c1cccc(OC)c1)N(CC)CC.I
InChIInChI=1S/C17H30N4O.HI/c1-5-11-19-17(18)20-13-16(21(6-2)7-3)14-9-8-10-15(12-14)22-4;/h8-10,12,16H,5-7,11,13H2,1-4H3,(H3,18,19,20);1H
InChIKeyOCAMOGHJOJTXPH-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.01
Rot. Bonds9

About 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide

2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide (PubChem CID 111037503) has the molecular formula C17H31IN4O and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
PubChem CID111037503
Molecular FormulaC17H31IN4O
Molecular Weight434.37 g/mol
Exact Mass434.15
IUPAC Name2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(c1cccc(OC)c1)N(CC)CC.I
InChIInChI=1S/C17H30N4O.HI/c1-5-11-19-17(18)20-13-16(21(6-2)7-3)14-9-8-10-15(12-14)22-4;/h8-10,12,16H,5-7,11,13H2,1-4H3,(H3,18,19,20);1H
InChIKeyOCAMOGHJOJTXPH-UHFFFAOYSA-N
XLogP3.01
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
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)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
CID 62364368
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111037506
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111037548
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111037534
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine;hydroiodide
CID 110029655
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
CID 55079682
N-[2-[[N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927620
1-cyclopropyl-2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylguanidine
CID 110029656
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111037535
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 62364596
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 111037502
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111029436

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide (CID 111037503) is 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/CC(c1cccc(OC)c1)N(CC)CC.I.
What is the InChIKey of 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide?
The InChIKey is OCAMOGHJOJTXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.HI/c1-5-11-19-17(18)20-13-16(21(6-2)7-3)14-9-8-10-15(12-14)22-4;/h8-10,12,16H,5-7,11,13H2,1-4H3,(H3,18,19,20);1H.
What are the key properties of 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide?
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide has a molecular weight of 434.37 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111037503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).