2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

C21H32IN5O — CID 111053084

IUPAC2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN(CC)CCOc1ccccc1C/N=C(\N)NCCc1ccccn1.I
InChIInChI=1S/C21H31N5O.HI/c1-3-26(4-2)15-16-27-20-11-6-5-9-18(20)17-25-21(22)24-14-12-19-10-7-8-13-23-19;/h5-11,13H,3-4,12,14-17H2,1-2H3,(H3,22,24,25);1H
InChIKeyPQQNAEJXXBXIDS-UHFFFAOYSA-N
MW497.43 g/mol
LogP3.07
Rot. Bonds11

About 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide

2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (PubChem CID 111053084) has the molecular formula C21H32IN5O and a molecular weight of 497.43 g/mol. Its IUPAC name is 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
PubChem CID111053084
Molecular FormulaC21H32IN5O
Molecular Weight497.43 g/mol
Exact Mass497.17
IUPAC Name2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
SMILESCCN(CC)CCOc1ccccc1C/N=C(\N)NCCc1ccccn1.I
InChIInChI=1S/C21H31N5O.HI/c1-3-26(4-2)15-16-27-20-11-6-5-9-18(20)17-25-21(22)24-14-12-19-10-7-8-13-23-19;/h5-11,13H,3-4,12,14-17H2,1-2H3,(H3,22,24,25);1H
InChIKeyPQQNAEJXXBXIDS-UHFFFAOYSA-N
XLogP3.07
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)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-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194351
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111690437
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053110
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111053111
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111053050
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191566
1-[2-(diethylamino)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191845
2-[(2,5-dimethylfuran-3-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111580606
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111053130
2-[3-(dipropylamino)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111077449
2-[(3-methyl-2-pyridinyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111802397

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide (CID 111053084) is 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is CCN(CC)CCOc1ccccc1C/N=C(\N)NCCc1ccccn1.I.
What is the InChIKey of 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is PQQNAEJXXBXIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O.HI/c1-3-26(4-2)15-16-27-20-11-6-5-9-18(20)17-25-21(22)24-14-12-19-10-7-8-13-23-19;/h5-11,13H,3-4,12,14-17H2,1-2H3,(H3,22,24,25);1H.
What are the key properties of 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide?
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 497.43 g/mol, XLogP of 3.07, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111053084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).