2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium

C15H23N2+ — CID 2060969

IUPAC2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium
SMILESCCCCc1ccc2[nH]c(C)c(CC[NH3+])c2c1
InChIInChI=1S/C15H22N2/c1-3-4-5-12-6-7-15-14(10-12)13(8-9-16)11(2)17-15/h6-7,10,17H,3-5,8-9,16H2,1-2H3/p+1
InChIKeyZGJIJGUYYAFIQK-UHFFFAOYSA-O
MW231.36 g/mol
LogP2.60
Rot. Bonds5

About 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium

2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium (PubChem CID 2060969) has the molecular formula C15H23N2+ and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium.

Molecular Properties

Compound Name2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium
PubChem CID2060969
Molecular FormulaC15H23N2+
Molecular Weight231.36 g/mol
Exact Mass231.19
IUPAC Name2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium
SMILESCCCCc1ccc2[nH]c(C)c(CC[NH3+])c2c1
InChIInChI=1S/C15H22N2/c1-3-4-5-12-6-7-15-14(10-12)13(8-9-16)11(2)17-15/h6-7,10,17H,3-5,8-9,16H2,1-2H3/p+1
InChIKeyZGJIJGUYYAFIQK-UHFFFAOYSA-O
XLogP2.60
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 5073690
1-butyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiourea
CID 43953000
4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine
CID 5010457
4-[5-butyl-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3644424
3-(2-azaniumylethyl)-2-methyl-1H-indole-6-carboxylate
CID 7017038
4-[5-butyl-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3914756
4-[5-butyl-2-(3-chlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3340482
4-[5-butyl-2-(1,3-thiazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 5145781
3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione
CID 2056968
1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82279096
2-methyl-3-propyl-1H-indole-5-sulfonic acid
CID 50887921
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879

Frequently Asked Questions

What is the IUPAC name of 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium?
The IUPAC name of 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium (CID 2060969) is 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium.
What is the SMILES notation for 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium?
The canonical SMILES for 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium is CCCCc1ccc2[nH]c(C)c(CC[NH3+])c2c1.
What is the InChIKey of 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium?
The InChIKey is ZGJIJGUYYAFIQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2/c1-3-4-5-12-6-7-15-14(10-12)13(8-9-16)11(2)17-15/h6-7,10,17H,3-5,8-9,16H2,1-2H3/p+1.
What are the key properties of 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium?
2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium has a molecular weight of 231.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium is sourced from PubChem (CID 2060969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).