1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

C26H35N5O — CID 111375545

IUPAC1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCCc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C26H35N5O/c1-3-27-26(28-11-10-22-18-29-25-16-20(2)8-9-24(22)25)30-17-21-6-4-5-7-23(21)19-31-12-14-32-15-13-31/h4-9,16,18,29H,3,10-15,17,19H2,1-2H3,(H2,27,28,30)
InChIKeyQJTYKABUQJNAKM-UHFFFAOYSA-N
MW433.60 g/mol
LogP3.61
Rot. Bonds8

About 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 111375545) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID111375545
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCCc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C26H35N5O/c1-3-27-26(28-11-10-22-18-29-25-16-20(2)8-9-24(22)25)30-17-21-6-4-5-7-23(21)19-31-12-14-32-15-13-31/h4-9,16,18,29H,3,10-15,17,19H2,1-2H3,(H2,27,28,30)
InChIKeyQJTYKABUQJNAKM-UHFFFAOYSA-N
XLogP3.61
TPSA64.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(6-methyl-1H-indol-3-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972212
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111786304
1-ethyl-2-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111658461
1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111974401
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111888608
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110996346
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111092552
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375724
1-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111151367
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374245
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374244
N-[2-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 111374654

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 111375545) is 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is CCN/C(=N\Cc1ccccc1CN1CCOCC1)NCCc1c[nH]c2cc(C)ccc12.
What is the InChIKey of 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is QJTYKABUQJNAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c1-3-27-26(28-11-10-22-18-29-25-16-20(2)8-9-24(22)25)30-17-21-6-4-5-7-23(21)19-31-12-14-32-15-13-31/h4-9,16,18,29H,3,10-15,17,19H2,1-2H3,(H2,27,28,30).
What are the key properties of 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 433.60 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111375545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).