1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide

C18H31IN4O — CID 111150253

IUPAC1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCCCN/C(=N/Cc1cccnc1OC1CCCC1)NCC.I
InChIInChI=1S/C18H30N4O.HI/c1-3-5-12-21-18(19-4-2)22-14-15-9-8-13-20-17(15)23-16-10-6-7-11-16;/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H2,19,21,22);1H
InChIKeyQLLPDVHAPVGNSH-UHFFFAOYSA-N
MW446.38 g/mol
LogP3.88
Rot. Bonds8

About 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide

1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide (PubChem CID 111150253) has the molecular formula C18H31IN4O and a molecular weight of 446.38 g/mol. Its IUPAC name is 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
PubChem CID111150253
Molecular FormulaC18H31IN4O
Molecular Weight446.38 g/mol
Exact Mass446.15
IUPAC Name1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCCCN/C(=N/Cc1cccnc1OC1CCCC1)NCC.I
InChIInChI=1S/C18H30N4O.HI/c1-3-5-12-21-18(19-4-2)22-14-15-9-8-13-20-17(15)23-16-10-6-7-11-16;/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H2,19,21,22);1H
InChIKeyQLLPDVHAPVGNSH-UHFFFAOYSA-N
XLogP3.88
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;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-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111227974
N-[2-[[N'-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111926936
1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111151098
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111397900
1-butyl-2-[(2-cyclobutyloxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111625927
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111397901
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111575304
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110939813
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111575525
2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656128
1-butyl-3-ethyl-2-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111150673
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111344604

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide (CID 111150253) is 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide is CCCCN/C(=N/Cc1cccnc1OC1CCCC1)NCC.I.
What is the InChIKey of 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide?
The InChIKey is QLLPDVHAPVGNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.HI/c1-3-5-12-21-18(19-4-2)22-14-15-9-8-13-20-17(15)23-16-10-6-7-11-16;/h8-9,13,16H,3-7,10-12,14H2,1-2H3,(H2,19,21,22);1H.
What are the key properties of 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide?
1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide has a molecular weight of 446.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111150253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).