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

C24H31N5O — CID 111375049

IUPAC1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C24H31N5O/c1-2-25-24(27-17-22-15-19-7-5-6-10-23(19)28-22)26-16-20-8-3-4-9-21(20)18-29-11-13-30-14-12-29/h3-10,15,28H,2,11-14,16-18H2,1H3,(H2,25,26,27)
InChIKeyACTUIDVPQSHSSJ-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.26
Rot. Bonds7

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

1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 111375049) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID111375049
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C24H31N5O/c1-2-25-24(27-17-22-15-19-7-5-6-10-23(19)28-22)26-16-20-8-3-4-9-21(20)18-29-11-13-30-14-12-29/h3-10,15,28H,2,11-14,16-18H2,1H3,(H2,25,26,27)
InChIKeyACTUIDVPQSHSSJ-UHFFFAOYSA-N
XLogP3.26
TPSA64.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.26
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-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111151367
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111233485
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 109417454
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111930820
1-tert-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110966606
1-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[(2-nitrophenyl)methyl]guanidine;hydroiodide
CID 136920718
N-[2-[[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111375164
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374428
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374815
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111797133
2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111755236
1-(2-cyclopropylethyl)-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111604750

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 111375049) is 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is CCN/C(=N\Cc1ccccc1CN1CCOCC1)NCc1cc2ccccc2[nH]1.
What is the InChIKey of 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is ACTUIDVPQSHSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-2-25-24(27-17-22-15-19-7-5-6-10-23(19)28-22)26-16-20-8-3-4-9-21(20)18-29-11-13-30-14-12-29/h3-10,15,28H,2,11-14,16-18H2,1H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 405.55 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111375049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).