N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine

C11H18N2 — CID 70591434

IUPACN-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
SMILESCNCCC1CC=CC2=C1NCC2
InChIInChI=1S/C11H18N2/c1-12-7-5-9-3-2-4-10-6-8-13-11(9)10/h2,4,9,12-13H,3,5-8H2,1H3
InChIKeyAZKMXWGONGJXNO-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.42
Rot. Bonds3

About N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine

N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine (PubChem CID 70591434) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
PubChem CID70591434
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine
SMILESCNCCC1CC=CC2=C1NCC2
InChIInChI=1S/C11H18N2/c1-12-7-5-9-3-2-4-10-6-8-13-11(9)10/h2,4,9,12-13H,3,5-8H2,1H3
InChIKeyAZKMXWGONGJXNO-UHFFFAOYSA-N
XLogP1.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine?
The IUPAC name of N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine (CID 70591434) is N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine is CNCCC1CC=CC2=C1NCC2.
What is the InChIKey of N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine?
The InChIKey is AZKMXWGONGJXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-12-7-5-9-3-2-4-10-6-8-13-11(9)10/h2,4,9,12-13H,3,5-8H2,1H3.
What are the key properties of N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine?
N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine has a molecular weight of 178.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,3,6,7-tetrahydro-1H-indol-7-yl)ethanamine is sourced from PubChem (CID 70591434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).