N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine

C13H22N2 — CID 70807108

IUPACN-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine
SMILESCCN(CC)CC1CNC2=CCCC=C21
InChIInChI=1S/C13H22N2/c1-3-15(4-2)10-11-9-14-13-8-6-5-7-12(11)13/h7-8,11,14H,3-6,9-10H2,1-2H3
InChIKeyFFUVQQGDGUGTJA-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.15
Rot. Bonds4

About N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine

N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine (PubChem CID 70807108) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine
PubChem CID70807108
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine
SMILESCCN(CC)CC1CNC2=CCCC=C21
InChIInChI=1S/C13H22N2/c1-3-15(4-2)10-11-9-14-13-8-6-5-7-12(11)13/h7-8,11,14H,3-6,9-10H2,1-2H3
InChIKeyFFUVQQGDGUGTJA-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine (CID 70807108) is N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine is CCN(CC)CC1CNC2=CCCC=C21.
What is the InChIKey of N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine?
The InChIKey is FFUVQQGDGUGTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-15(4-2)10-11-9-14-13-8-6-5-7-12(11)13/h7-8,11,14H,3-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine?
N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine has a molecular weight of 206.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,3,5,6-tetrahydro-1H-indol-3-ylmethyl)ethanamine is sourced from PubChem (CID 70807108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).