1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine

C17H26N4 — CID 111807078

IUPAC1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCc1cccc2c(CC/N=C(\N)N(CC)CC)c[nH]c12
InChIInChI=1S/C17H26N4/c1-4-13-8-7-9-15-14(12-20-16(13)15)10-11-19-17(18)21(5-2)6-3/h7-9,12,20H,4-6,10-11H2,1-3H3,(H2,18,19)
InChIKeyWTYXGVMDGWYBTK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.93
Rot. Bonds6

About 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine

1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111807078) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID111807078
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
SMILESCCc1cccc2c(CC/N=C(\N)N(CC)CC)c[nH]c12
InChIInChI=1S/C17H26N4/c1-4-13-8-7-9-15-14(12-20-16(13)15)10-11-19-17(18)21(5-2)6-3/h7-9,12,20H,4-6,10-11H2,1-3H3,(H2,18,19)
InChIKeyWTYXGVMDGWYBTK-UHFFFAOYSA-N
XLogP2.93
TPSA57.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.93
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'}

Analyze 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(7-ethyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide
CID 111807074
1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
CID 111117715
2-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,1-diethylguanidine
CID 111800596
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
1-(7-ethyl-1H-indol-3-yl)butan-2-amine
CID 154181307
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111808947
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111464833
2-[(3,4-dimethoxyphenyl)methyl]-1-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111807075
7-ethyl-3-methyl-1H-indole
CID 13271010
2-[2-[2-(difluoromethoxy)phenyl]ethyl]-1,1-diethylguanidine;hydroiodide
CID 110062384

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine (CID 111807078) is 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine is CCc1cccc2c(CC/N=C(\N)N(CC)CC)c[nH]c12.
What is the InChIKey of 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is WTYXGVMDGWYBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-13-8-7-9-15-14(12-20-16(13)15)10-11-19-17(18)21(5-2)6-3/h7-9,12,20H,4-6,10-11H2,1-3H3,(H2,18,19).
What are the key properties of 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine?
1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 286.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111807078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).