N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine

C18H30N2 — CID 115568760

IUPACN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
SMILESCCCCCCCCNCCC1CNc2ccccc21
InChIInChI=1S/C18H30N2/c1-2-3-4-5-6-9-13-19-14-12-16-15-20-18-11-8-7-10-17(16)18/h7-8,10-11,16,19-20H,2-6,9,12-15H2,1H3
InChIKeyJTKIRGYDYXVSSS-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.54
Rot. Bonds10

About N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine

N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine (PubChem CID 115568760) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
PubChem CID115568760
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
SMILESCCCCCCCCNCCC1CNc2ccccc21
InChIInChI=1S/C18H30N2/c1-2-3-4-5-6-9-13-19-14-12-16-15-20-18-11-8-7-10-17(16)18/h7-8,10-11,16,19-20H,2-6,9,12-15H2,1H3
InChIKeyJTKIRGYDYXVSSS-UHFFFAOYSA-N
XLogP4.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine (CID 115568760) is N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine is CCCCCCCCNCCC1CNc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine?
The InChIKey is JTKIRGYDYXVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-3-4-5-6-9-13-19-14-12-16-15-20-18-11-8-7-10-17(16)18/h7-8,10-11,16,19-20H,2-6,9,12-15H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine?
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 4.54, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine is sourced from PubChem (CID 115568760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).