1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

C21H36N4O3 — CID 111682386

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCCCN1CC(C)OC(C)C1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C21H36N4O3/c1-16(28-20-10-7-6-9-19(20)26-5)13-24-21(22-4)23-11-8-12-25-14-17(2)27-18(3)15-25/h6-7,9-10,16-18H,8,11-15H2,1-5H3,(H2,22,23,24)
InChIKeyPAGCVWWLDDJBIY-UHFFFAOYSA-N
MW392.54 g/mol
LogP2.13
Rot. Bonds9

About 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111682386) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
PubChem CID111682386
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCCCN1CC(C)OC(C)C1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C21H36N4O3/c1-16(28-20-10-7-6-9-19(20)26-5)13-24-21(22-4)23-11-8-12-25-14-17(2)27-18(3)15-25/h6-7,9-10,16-18H,8,11-15H2,1-5H3,(H2,22,23,24)
InChIKeyPAGCVWWLDDJBIY-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-butyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111502959
1-[2-(2-methoxyphenoxy)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111494446
1-(5-methoxypentyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682876
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 111878160
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111326194
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111503327
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950065
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111503624
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847903
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111389286
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111574324

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (CID 111682386) is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is C/N=C(/NCCCN1CC(C)OC(C)C1)NCC(C)Oc1ccccc1OC.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The InChIKey is PAGCVWWLDDJBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-16(28-20-10-7-6-9-19(20)26-5)13-24-21(22-4)23-11-8-12-25-14-17(2)27-18(3)15-25/h6-7,9-10,16-18H,8,11-15H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 392.54 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111682386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).