2-(3a,4-dihydro-1H-indol-3-yl)ethanamine

C10H14N2 — CID 59102577

IUPAC2-(3a,4-dihydro-1H-indol-3-yl)ethanamine
SMILESNCCC1=CNC2=CC=CCC12
InChIInChI=1S/C10H14N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-2,4,7,9,12H,3,5-6,11H2
InChIKeyKIRJYCICLBHORH-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.28
Rot. Bonds2

About 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine

2-(3a,4-dihydro-1H-indol-3-yl)ethanamine (PubChem CID 59102577) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3a,4-dihydro-1H-indol-3-yl)ethanamine
PubChem CID59102577
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-(3a,4-dihydro-1H-indol-3-yl)ethanamine
SMILESNCCC1=CNC2=CC=CCC12
InChIInChI=1S/C10H14N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-2,4,7,9,12H,3,5-6,11H2
InChIKeyKIRJYCICLBHORH-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine (CID 59102577) is 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine is NCCC1=CNC2=CC=CCC12.
What is the InChIKey of 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine?
The InChIKey is KIRJYCICLBHORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-2,4,7,9,12H,3,5-6,11H2.
What are the key properties of 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine?
2-(3a,4-dihydro-1H-indol-3-yl)ethanamine has a molecular weight of 162.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a,4-dihydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 59102577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).