2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine

C15H22N2 — CID 66043826

IUPAC2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESC=C(CC)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C15H22N2/c1-3-12(2)10-17-11-13(8-9-16)14-6-4-5-7-15(14)17/h4-7,13H,2-3,8-11,16H2,1H3
InChIKeyAPUFLUKHVXGPCG-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine

2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine (PubChem CID 66043826) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine
PubChem CID66043826
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine
SMILESC=C(CC)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C15H22N2/c1-3-12(2)10-17-11-13(8-9-16)14-6-4-5-7-15(14)17/h4-7,13H,2-3,8-11,16H2,1H3
InChIKeyAPUFLUKHVXGPCG-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine (CID 66043826) is 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine is C=C(CC)CN1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine?
The InChIKey is APUFLUKHVXGPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-12(2)10-17-11-13(8-9-16)14-6-4-5-7-15(14)17/h4-7,13H,2-3,8-11,16H2,1H3.
What are the key properties of 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine?
2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylidenebutyl)-2,3-dihydroindol-3-yl]ethanamine is sourced from PubChem (CID 66043826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).