1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine

C19H30FN5 — CID 111972056

IUPAC1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESCCN(CC)CCCN/C(=N\C)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H30FN5/c1-4-25(5-2)12-6-10-22-19(21-3)23-11-9-15-14-24-18-8-7-16(20)13-17(15)18/h7-8,13-14,24H,4-6,9-12H2,1-3H3,(H2,21,22,23)
InChIKeyQMRMEIRRPDGGKT-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.75
Rot. Bonds9

About 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine

1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine (PubChem CID 111972056) has the molecular formula C19H30FN5 and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
PubChem CID111972056
Molecular FormulaC19H30FN5
Molecular Weight347.48 g/mol
Exact Mass347.25
IUPAC Name1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESCCN(CC)CCCN/C(=N\C)NCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H30FN5/c1-4-25(5-2)12-6-10-22-19(21-3)23-11-9-15-14-24-18-8-7-16(20)13-17(15)18/h7-8,13-14,24H,4-6,9-12H2,1-3H3,(H2,21,22,23)
InChIKeyQMRMEIRRPDGGKT-UHFFFAOYSA-N
XLogP2.75
TPSA55.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972792
2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111973314
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111788208
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
1-[3-(dimethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111888705
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111972663
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111544590
3-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111972408
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111788823
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111972146
1-[3-(diethylamino)propyl]-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]thiourea
CID 17383880
1-tert-butyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111547136

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine (CID 111972056) is 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine is CCN(CC)CCCN/C(=N\C)NCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine?
The InChIKey is QMRMEIRRPDGGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5/c1-4-25(5-2)12-6-10-22-19(21-3)23-11-9-15-14-24-18-8-7-16(20)13-17(15)18/h7-8,13-14,24H,4-6,9-12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine?
1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine has a molecular weight of 347.48 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111972056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).