1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine

C22H38N4O2 — CID 111314536

IUPAC1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(COC(C)C)c1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C22H38N4O2/c1-6-23-21(25-17-22(4,5)26-10-12-27-13-11-26)24-15-19-8-7-9-20(14-19)16-28-18(2)3/h7-9,14,18H,6,10-13,15-17H2,1-5H3,(H2,23,24,25)
InChIKeyGVVRIXCDBQUJDJ-UHFFFAOYSA-N
MW390.57 g/mol
LogP2.78
Rot. Bonds9

About 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine

1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine (PubChem CID 111314536) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
PubChem CID111314536
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(COC(C)C)c1)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C22H38N4O2/c1-6-23-21(25-17-22(4,5)26-10-12-27-13-11-26)24-15-19-8-7-9-20(14-19)16-28-18(2)3/h7-9,14,18H,6,10-13,15-17H2,1-5H3,(H2,23,24,25)
InChIKeyGVVRIXCDBQUJDJ-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 52.78
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-[(3-methoxyphenyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111251656
1-ethyl-3-(2-morpholin-4-ylethyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111187917
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111314773
3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111313384
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111313612
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111315399
1-ethyl-2-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315636
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111315710
1-(2,2-diethyl-4-hydroxybutyl)-3-ethyl-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111716442
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111315002
N-[3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]cyclohexanecarboxamide
CID 111314548
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111314376

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine (CID 111314536) is 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine is CCN/C(=N\Cc1cccc(COC(C)C)c1)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine?
The InChIKey is GVVRIXCDBQUJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-6-23-21(25-17-22(4,5)26-10-12-27-13-11-26)24-15-19-8-7-9-20(14-19)16-28-18(2)3/h7-9,14,18H,6,10-13,15-17H2,1-5H3,(H2,23,24,25).
What are the key properties of 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine?
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine has a molecular weight of 390.57 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111314536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).