1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine

C16H24N2 — CID 115106081

IUPAC1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cccc2c1CCN2CC1CCC1
InChIInChI=1S/C16H24N2/c1-12(17-2)14-7-4-8-16-15(14)9-10-18(16)11-13-5-3-6-13/h4,7-8,12-13,17H,3,5-6,9-11H2,1-2H3
InChIKeyWNRLORPPSTVCAR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.13
Rot. Bonds4

About 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine

1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine (PubChem CID 115106081) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine
PubChem CID115106081
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cccc2c1CCN2CC1CCC1
InChIInChI=1S/C16H24N2/c1-12(17-2)14-7-4-8-16-15(14)9-10-18(16)11-13-5-3-6-13/h4,7-8,12-13,17H,3,5-6,9-11H2,1-2H3
InChIKeyWNRLORPPSTVCAR-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine 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 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine (CID 115106081) is 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine is CNC(C)c1cccc2c1CCN2CC1CCC1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine?
The InChIKey is WNRLORPPSTVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(17-2)14-7-4-8-16-15(14)9-10-18(16)11-13-5-3-6-13/h4,7-8,12-13,17H,3,5-6,9-11H2,1-2H3.
What are the key properties of 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine?
1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine has a molecular weight of 244.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)-2,3-dihydroindol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115106081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).