N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine

C17H34N2O2 — CID 82960788

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)CC1CC2CCCCC2N1
InChIInChI=1S/C17H34N2O2/c1-3-20-11-9-19(10-12-21-4-2)14-16-13-15-7-5-6-8-17(15)18-16/h15-18H,3-14H2,1-2H3
InChIKeySUTHOGWSUZIMOA-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds10

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine (PubChem CID 82960788) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine
PubChem CID82960788
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)CC1CC2CCCCC2N1
InChIInChI=1S/C17H34N2O2/c1-3-20-11-9-19(10-12-21-4-2)14-16-13-15-7-5-6-8-17(15)18-16/h15-18H,3-14H2,1-2H3
InChIKeySUTHOGWSUZIMOA-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine (CID 82960788) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine is CCOCCN(CCOCC)CC1CC2CCCCC2N1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The InChIKey is SUTHOGWSUZIMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-3-20-11-9-19(10-12-21-4-2)14-16-13-15-7-5-6-8-17(15)18-16/h15-18H,3-14H2,1-2H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine has a molecular weight of 298.47 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 82960788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).