2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide

C20H29IN4O — CID 111129252

IUPAC2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCCCCN/C(=N\C)NCc1ccnc(OCc2ccccc2)c1.I
InChIInChI=1S/C20H28N4O.HI/c1-3-4-8-12-23-20(21-2)24-15-18-11-13-22-19(14-18)25-16-17-9-6-5-7-10-17;/h5-7,9-11,13-14H,3-4,8,12,15-16H2,1-2H3,(H2,21,23,24);1H
InChIKeyBFTRWDHWONPGJH-UHFFFAOYSA-N
MW468.38 g/mol
LogP4.13
Rot. Bonds9

About 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide

2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111129252) has the molecular formula C20H29IN4O and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111129252
Molecular FormulaC20H29IN4O
Molecular Weight468.38 g/mol
Exact Mass468.14
IUPAC Name2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCCCCN/C(=N\C)NCc1ccnc(OCc2ccccc2)c1.I
InChIInChI=1S/C20H28N4O.HI/c1-3-4-8-12-23-20(21-2)24-15-18-11-13-22-19(14-18)25-16-17-9-6-5-7-10-17;/h5-7,9-11,13-14H,3-4,8,12,15-16H2,1-2H3,(H2,21,23,24);1H
InChIKeyBFTRWDHWONPGJH-UHFFFAOYSA-N
XLogP4.13
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 54.13
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 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;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-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111129253
1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111150670
2-methyl-1-(4-methylsulfanylbutyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111627151
2-methyl-1-(2-phenoxyethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111004601
tert-butyl N-[3-[[N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111886873
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111233262
1-benzyl-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 110952173
2-methyl-1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111940011
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111410493
1-(3-ethoxy-4-methylpentyl)-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111717584
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111202786
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111933302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide (CID 111129252) is 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide is CCCCCN/C(=N\C)NCc1ccnc(OCc2ccccc2)c1.I.
What is the InChIKey of 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is BFTRWDHWONPGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.HI/c1-3-4-8-12-23-20(21-2)24-15-18-11-13-22-19(14-18)25-16-17-9-6-5-7-10-17;/h5-7,9-11,13-14H,3-4,8,12,15-16H2,1-2H3,(H2,21,23,24);1H.
What are the key properties of 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 468.38 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111129252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).