3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide

C18H31IN4O2 — CID 111271306

IUPAC3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CN(C)CCO1)N(C)Cc1ccc(OC)cc1.I
InChIInChI=1S/C18H30N4O2.HI/c1-5-19-18(20-12-17-14-21(2)10-11-24-17)22(3)13-15-6-8-16(23-4)9-7-15;/h6-9,17H,5,10-14H2,1-4H3,(H,19,20);1H
InChIKeyUOECTFULSSRYMO-UHFFFAOYSA-N
MW462.38 g/mol
LogP2.04
Rot. Bonds6

About 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide

3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111271306) has the molecular formula C18H31IN4O2 and a molecular weight of 462.38 g/mol. Its IUPAC name is 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
PubChem CID111271306
Molecular FormulaC18H31IN4O2
Molecular Weight462.38 g/mol
Exact Mass462.15
IUPAC Name3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC1CN(C)CCO1)N(C)Cc1ccc(OC)cc1.I
InChIInChI=1S/C18H30N4O2.HI/c1-5-19-18(20-12-17-14-21(2)10-11-24-17)22(3)13-15-6-8-16(23-4)9-7-15;/h6-9,17H,5,10-14H2,1-4H3,(H,19,20);1H
InChIKeyUOECTFULSSRYMO-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
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 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)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

3-ethyl-1-[(4-fluorophenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111306566
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111272338
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111272718
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-propylguanidine;hydroiodide
CID 111272526
1-[(4-ethoxyphenyl)methyl]-3-ethyl-1-methyl-2-(oxolan-2-ylmethyl)guanidine
CID 111275509
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111272656
3-ethyl-1-[(4-methoxyphenyl)methyl]-2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-methylguanidine;hydroiodide
CID 111271862
2-butyl-3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
CID 111271274
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111272754
N,N-diethyl-2-[[N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]-methylamino]acetamide
CID 111009779
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111272788
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111272680

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide (CID 111271306) is 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide is CCN/C(=N\CC1CN(C)CCO1)N(C)Cc1ccc(OC)cc1.I.
What is the InChIKey of 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is UOECTFULSSRYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2.HI/c1-5-19-18(20-12-17-14-21(2)10-11-24-17)22(3)13-15-6-8-16(23-4)9-7-15;/h6-9,17H,5,10-14H2,1-4H3,(H,19,20);1H.
What are the key properties of 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 462.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111271306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).