1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

C18H38N4O2 — CID 111607023

IUPAC1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H38N4O2/c1-7-19-17(21-14-18(4,5)23-6)20-13-16(12-15(2)3)22-8-10-24-11-9-22/h15-16H,7-14H2,1-6H3,(H2,19,20,21)
InChIKeyIYVKDYUNUCLBMJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP1.71
Rot. Bonds9

About 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine

1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (PubChem CID 111607023) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
PubChem CID111607023
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Name1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H38N4O2/c1-7-19-17(21-14-18(4,5)23-6)20-13-16(12-15(2)3)22-8-10-24-11-9-22/h15-16H,7-14H2,1-6H3,(H2,19,20,21)
InChIKeyIYVKDYUNUCLBMJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 51.71
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'}

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Related Compounds

1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111607630
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607470
1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111607471
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111672110
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022093
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111606959
1-ethyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935992
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111606918
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111216987
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111606958
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111998706
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935307

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine (CID 111607023) is 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is CCN/C(=N\CC(C)(C)OC)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
The InChIKey is IYVKDYUNUCLBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-7-19-17(21-14-18(4,5)23-6)20-13-16(12-15(2)3)22-8-10-24-11-9-22/h15-16H,7-14H2,1-6H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine?
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine has a molecular weight of 342.53 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine is sourced from PubChem (CID 111607023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).