2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide

C15H27IN4 — CID 111127393

IUPAC2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide
SMILESCCN/C(=N\CCCNc1ccccc1)NC(C)C.I
InChIInChI=1S/C15H26N4.HI/c1-4-16-15(19-13(2)3)18-12-8-11-17-14-9-6-5-7-10-14;/h5-7,9-10,13,17H,4,8,11-12H2,1-3H3,(H2,16,18,19);1H
InChIKeyZEVKYEAYKJYJGB-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.07
Rot. Bonds7

About 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide

2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide (PubChem CID 111127393) has the molecular formula C15H27IN4 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide
PubChem CID111127393
Molecular FormulaC15H27IN4
Molecular Weight390.31 g/mol
Exact Mass390.13
IUPAC Name2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide
SMILESCCN/C(=N\CCCNc1ccccc1)NC(C)C.I
InChIInChI=1S/C15H26N4.HI/c1-4-16-15(19-13(2)3)18-12-8-11-17-14-9-6-5-7-10-14;/h5-7,9-10,13,17H,4,8,11-12H2,1-3H3,(H2,16,18,19);1H
InChIKeyZEVKYEAYKJYJGB-UHFFFAOYSA-N
XLogP3.07
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-anilinopropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236951
2-(3-anilinopropyl)-1-propan-2-ylguanidine;hydroiodide
CID 111088147
1-ethyl-2-[3-(1-phenylethoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127121
tert-butyl N-[2-[[N'-(3-anilinopropyl)-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884320
tert-butyl N-[3-[[(3-anilinopropylamino)-(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111886488
1-ethyl-2-[3-(3-fluorophenyl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111834620
2-[3-[benzyl(methyl)amino]propyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127142
2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide
CID 111918994
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111791996
1-(3-anilinopropyl)-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109410366
2-(3-anilinopropyl)-1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111533086
2-(3-anilinopropyl)-1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614731

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide (CID 111127393) is 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide is CCN/C(=N\CCCNc1ccccc1)NC(C)C.I.
What is the InChIKey of 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide?
The InChIKey is ZEVKYEAYKJYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.HI/c1-4-16-15(19-13(2)3)18-12-8-11-17-14-9-6-5-7-10-14;/h5-7,9-10,13,17H,4,8,11-12H2,1-3H3,(H2,16,18,19);1H.
What are the key properties of 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide?
2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide has a molecular weight of 390.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinopropyl)-1-ethyl-3-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111127393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).