N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine

C17H27N3 — CID 106907036

IUPACN-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCC3CCCCC32)n1
InChIInChI=1S/C17H27N3/c1-2-18-12-15-7-5-8-16(19-15)13-20-11-10-14-6-3-4-9-17(14)20/h5,7-8,14,17-18H,2-4,6,9-13H2,1H3
InChIKeyZTCUOEATWCNBEQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.96
Rot. Bonds5

About N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine

N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 106907036) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID106907036
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCC3CCCCC32)n1
InChIInChI=1S/C17H27N3/c1-2-18-12-15-7-5-8-16(19-15)13-20-11-10-14-6-3-4-9-17(14)20/h5,7-8,14,17-18H,2-4,6,9-13H2,1H3
InChIKeyZTCUOEATWCNBEQ-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine (CID 106907036) is N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(CN2CCC3CCCCC32)n1.
What is the InChIKey of N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is ZTCUOEATWCNBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-18-12-15-7-5-8-16(19-15)13-20-11-10-14-6-3-4-9-17(14)20/h5,7-8,14,17-18H,2-4,6,9-13H2,1H3.
What are the key properties of N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine?
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106907036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).