2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide

C18H33IN4 — CID 111810371

IUPAC2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(CC)(CC)NC(C)c1ccccc1.I
InChIInChI=1S/C18H32N4.HI/c1-5-13-20-17(19)21-14-18(6-2,7-3)22-15(4)16-11-9-8-10-12-16;/h8-12,15,22H,5-7,13-14H2,1-4H3,(H3,19,20,21);1H
InChIKeyFWEDTAATPHDIFA-UHFFFAOYSA-N
MW432.39 g/mol
LogP3.83
Rot. Bonds9

About 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide

2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide (PubChem CID 111810371) has the molecular formula C18H33IN4 and a molecular weight of 432.39 g/mol. Its IUPAC name is 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
PubChem CID111810371
Molecular FormulaC18H33IN4
Molecular Weight432.39 g/mol
Exact Mass432.17
IUPAC Name2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(CC)(CC)NC(C)c1ccccc1.I
InChIInChI=1S/C18H32N4.HI/c1-5-13-20-17(19)21-14-18(6-2,7-3)22-15(4)16-11-9-8-10-12-16;/h8-12,15,22H,5-7,13-14H2,1-4H3,(H3,19,20,21);1H
InChIKeyFWEDTAATPHDIFA-UHFFFAOYSA-N
XLogP3.83
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 53.83
H-Bond Donors ≤ 53
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-methyl-2-(1-phenylethylamino)propyl]-1-propylguanidine
CID 111803971
1-(2-methoxyethyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111111871
N'-[2-ethyl-2-(1-phenylethylamino)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111810353
1-(3-ethoxypropyl)-2-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111803912
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111803964
2-[2-methyl-2-(1-phenylethylamino)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111803927
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
1-(1-phenylethyl)-2-propylguanidine
CID 62361721
1-propyl-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911367
2-(2,2-dimethylpropyl)-1-propylguanidine
CID 62361794
2-methyl-1-(1-phenylethyl)-3-propylguanidine
CID 110949022

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide (CID 111810371) is 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/CC(CC)(CC)NC(C)c1ccccc1.I.
What is the InChIKey of 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide?
The InChIKey is FWEDTAATPHDIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4.HI/c1-5-13-20-17(19)21-14-18(6-2,7-3)22-15(4)16-11-9-8-10-12-16;/h8-12,15,22H,5-7,13-14H2,1-4H3,(H3,19,20,21);1H.
What are the key properties of 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide?
2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide has a molecular weight of 432.39 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111810371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).