1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine

C12H16N4 — CID 86812869

IUPAC1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N4/c1-14-12(13)15-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,16H,6-7H2,1H3,(H3,13,14,15)
InChIKeyDFWKFSLDHIOPQR-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.24
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine

1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine (PubChem CID 86812869) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
PubChem CID86812869
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N4/c1-14-12(13)15-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,16H,6-7H2,1H3,(H3,13,14,15)
InChIKeyDFWKFSLDHIOPQR-UHFFFAOYSA-N
XLogP1.24
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
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

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407
4-[[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 110996403
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 110996065
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
1-butan-2-yl-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110944386
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111787771
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110995827
1-[2-(diethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996298
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110996658

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine (CID 86812869) is 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine is C/N=C(\N)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
The InChIKey is DFWKFSLDHIOPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-14-12(13)15-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8,16H,6-7H2,1H3,(H3,13,14,15).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine?
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine has a molecular weight of 216.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 86812869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).