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

C19H31N5O — CID 111067792

IUPAC2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NCCCN1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C19H31N5O/c1-16(24-10-7-17-5-2-3-6-18(17)24)15-22-19(20)21-8-4-9-23-11-13-25-14-12-23/h2-3,5-6,16H,4,7-15H2,1H3,(H3,20,21,22)
InChIKeyBBGXDSUQNDBSTQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.06
Rot. Bonds7

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

2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111067792) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111067792
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESCC(C/N=C(\N)NCCCN1CCOCC1)N1CCc2ccccc21
InChIInChI=1S/C19H31N5O/c1-16(24-10-7-17-5-2-3-6-18(17)24)15-22-19(20)21-8-4-9-23-11-13-25-14-12-23/h2-3,5-6,16H,4,7-15H2,1H3,(H3,20,21,22)
InChIKeyBBGXDSUQNDBSTQ-UHFFFAOYSA-N
XLogP1.06
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971973
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
CID 111067766
1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111061757
N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
CID 111067772
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067803
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
2-[2-(diethylamino)-3-phenylpropyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111055279
2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
2-[2-(3-methylphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111660241
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056058
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111067792) is 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine is CC(C/N=C(\N)NCCCN1CCOCC1)N1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is BBGXDSUQNDBSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-16(24-10-7-17-5-2-3-6-18(17)24)15-22-19(20)21-8-4-9-23-11-13-25-14-12-23/h2-3,5-6,16H,4,7-15H2,1H3,(H3,20,21,22).
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 345.49 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111067792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).