1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide

C20H33IN4O2 — CID 111084070

IUPAC1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccccc1OCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C20H32N4O2.HI/c21-20(23-18-7-2-1-3-8-18)22-16-17-6-4-5-9-19(17)26-15-12-24-10-13-25-14-11-24;/h4-6,9,18H,1-3,7-8,10-16H2,(H3,21,22,23);1H
InChIKeyRDGFPINZUCQECW-UHFFFAOYSA-N
MW488.41 g/mol
LogP2.75
Rot. Bonds7

About 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide

1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111084070) has the molecular formula C20H33IN4O2 and a molecular weight of 488.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
PubChem CID111084070
Molecular FormulaC20H33IN4O2
Molecular Weight488.41 g/mol
Exact Mass488.16
IUPAC Name1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccccc1OCCN1CCOCC1)NC1CCCCC1
InChIInChI=1S/C20H32N4O2.HI/c21-20(23-18-7-2-1-3-8-18)22-16-17-6-4-5-9-19(17)26-15-12-24-10-13-25-14-11-24;/h4-6,9,18H,1-3,7-8,10-16H2,(H3,21,22,23);1H
InChIKeyRDGFPINZUCQECW-UHFFFAOYSA-N
XLogP2.75
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 52.75
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 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]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

1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 47086552
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111084138
N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111084139
1-(4-ethylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084102
1-(3-ethoxypropyl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111084097
1-cyclopentyl-2-methyl-3-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110990264
1,3-diethyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918578
1-ethyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318777
1-ethyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417236
1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111039863
2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111084119
1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 110927667

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide (CID 111084070) is 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1ccccc1OCCN1CCOCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is RDGFPINZUCQECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.HI/c21-20(23-18-7-2-1-3-8-18)22-16-17-6-4-5-9-19(17)26-15-12-24-10-13-25-14-11-24;/h4-6,9,18H,1-3,7-8,10-16H2,(H3,21,22,23);1H.
What are the key properties of 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 488.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111084070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).