2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine

C15H21ClN4 — CID 111800596

IUPAC2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H21ClN4/c1-3-20(4-2)15(17)18-8-7-11-10-19-14-6-5-12(16)9-13(11)14/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyRCCUANNEMZFXFR-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.02
Rot. Bonds5

About 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine

2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine (PubChem CID 111800596) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine.

Molecular Properties

Compound Name2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
PubChem CID111800596
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
SMILESCCN(CC)/C(N)=N/CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C15H21ClN4/c1-3-20(4-2)15(17)18-8-7-11-10-19-14-6-5-12(16)9-13(11)14/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H2,17,18)
InChIKeyRCCUANNEMZFXFR-UHFFFAOYSA-N
XLogP3.02
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
CID 111807078
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 134604088
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
(Z)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]but-2-en-1-imine;ethene
CID 178016943
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111800554

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine?
The IUPAC name of 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine (CID 111800596) is 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine.
What is the SMILES notation for 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine?
The canonical SMILES for 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine is CCN(CC)/C(N)=N/CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine?
The InChIKey is RCCUANNEMZFXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-3-20(4-2)15(17)18-8-7-11-10-19-14-6-5-12(16)9-13(11)14/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H2,17,18).
What are the key properties of 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine?
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine has a molecular weight of 292.81 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine is sourced from PubChem (CID 111800596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).