1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine

C21H35N5O — CID 111021207

IUPAC1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCN1c2ccccc2CC1C
InChIInChI=1S/C21H35N5O/c1-4-22-21(24-16-18(3)25-11-13-27-14-12-25)23-9-10-26-17(2)15-19-7-5-6-8-20(19)26/h5-8,17-18H,4,9-16H2,1-3H3,(H2,22,23,24)
InChIKeyBNDHOFVDMHHJOD-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.71
Rot. Bonds7

About 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine

1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111021207) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111021207
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCN1c2ccccc2CC1C
InChIInChI=1S/C21H35N5O/c1-4-22-21(24-16-18(3)25-11-13-27-14-12-25)23-9-10-26-17(2)15-19-7-5-6-8-20(19)26/h5-8,17-18H,4,9-16H2,1-3H3,(H2,22,23,24)
InChIKeyBNDHOFVDMHHJOD-UHFFFAOYSA-N
XLogP1.71
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
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-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971986
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111896095
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021679
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111896094
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584436
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111021180
1-(3-anilinopropyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021154
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645479
1-ethyl-3-[2-(3-methylphenyl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021774
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111021240
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971973

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine (CID 111021207) is 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCCN1c2ccccc2CC1C.
What is the InChIKey of 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is BNDHOFVDMHHJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-4-22-21(24-16-18(3)25-11-13-27-14-12-25)23-9-10-26-17(2)15-19-7-5-6-8-20(19)26/h5-8,17-18H,4,9-16H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 373.55 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111021207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).