1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

C23H39N5O2 — CID 111839279

IUPAC1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCC(C)N1CCOCC1C
InChIInChI=1S/C23H39N5O2/c1-4-24-23(25-15-19(2)28-11-14-30-18-20(28)3)26-16-21-7-5-6-8-22(21)17-27-9-12-29-13-10-27/h5-8,19-20H,4,9-18H2,1-3H3,(H2,24,25,26)
InChIKeyVNMXUWAWJPOBFP-UHFFFAOYSA-N
MW417.60 g/mol
LogP1.68
Rot. Bonds8

About 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 111839279) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID111839279
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCC(C)N1CCOCC1C
InChIInChI=1S/C23H39N5O2/c1-4-24-23(25-15-19(2)28-11-14-30-18-20(28)3)26-16-21-7-5-6-8-22(21)17-27-9-12-29-13-10-27/h5-8,19-20H,4,9-18H2,1-3H3,(H2,24,25,26)
InChIKeyVNMXUWAWJPOBFP-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-[2-(4-methylpiperidin-1-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375512
1-ethyl-3-[2-(4-methylpiperazin-1-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375532
N-[2-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111375164
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111503525
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375493
1-[2-(dimethylamino)-2-phenylethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374388
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111836986
1-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111151367
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111248849
1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111840579
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374243
1-ethyl-3-(2-ethylsulfonylethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375760

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 111839279) is 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is CCN/C(=N\Cc1ccccc1CN1CCOCC1)NCC(C)N1CCOCC1C.
What is the InChIKey of 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is VNMXUWAWJPOBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-4-24-23(25-15-19(2)28-11-14-30-18-20(28)3)26-16-21-7-5-6-8-22(21)17-27-9-12-29-13-10-27/h5-8,19-20H,4,9-18H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 417.60 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(3-methylmorpholin-4-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111839279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).