2-(3aH-indol-3-yl)-N-methylethanamine

C11H14N2 — CID 152743197

IUPAC2-(3aH-indol-3-yl)-N-methylethanamine
SMILESCNCCC1=CN=C2C=CC=CC12
InChIInChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,10,12H,6-7H2,1H3
InChIKeyPUOCIEBIHBLRKP-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.68
Rot. Bonds3

About 2-(3aH-indol-3-yl)-N-methylethanamine

2-(3aH-indol-3-yl)-N-methylethanamine (PubChem CID 152743197) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(3aH-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3aH-indol-3-yl)-N-methylethanamine
PubChem CID152743197
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(3aH-indol-3-yl)-N-methylethanamine
SMILESCNCCC1=CN=C2C=CC=CC12
InChIInChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,10,12H,6-7H2,1H3
InChIKeyPUOCIEBIHBLRKP-UHFFFAOYSA-N
XLogP1.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3aH-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(3aH-indol-3-yl)-N-methylethanamine (CID 152743197) is 2-(3aH-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3aH-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(3aH-indol-3-yl)-N-methylethanamine is CNCCC1=CN=C2C=CC=CC12.
What is the InChIKey of 2-(3aH-indol-3-yl)-N-methylethanamine?
The InChIKey is PUOCIEBIHBLRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,10,12H,6-7H2,1H3.
What are the key properties of 2-(3aH-indol-3-yl)-N-methylethanamine?
2-(3aH-indol-3-yl)-N-methylethanamine has a molecular weight of 174.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3aH-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 152743197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).