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

C15H30N2O — CID 55227896

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine
SMILESCCOCCN(CC)CC1CC2CCCCC2N1
InChIInChI=1S/C15H30N2O/c1-3-17(9-10-18-4-2)12-14-11-13-7-5-6-8-15(13)16-14/h13-16H,3-12H2,1-2H3
InChIKeyKBJDXSWAXYRCCF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds7

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

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine (PubChem CID 55227896) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine
PubChem CID55227896
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine
SMILESCCOCCN(CC)CC1CC2CCCCC2N1
InChIInChI=1S/C15H30N2O/c1-3-17(9-10-18-4-2)12-14-11-13-7-5-6-8-15(13)16-14/h13-16H,3-12H2,1-2H3
InChIKeyKBJDXSWAXYRCCF-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethylethanamine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine (CID 55227896) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine is CCOCCN(CC)CC1CC2CCCCC2N1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is KBJDXSWAXYRCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-17(9-10-18-4-2)12-14-11-13-7-5-6-8-15(13)16-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 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-ethylethanamine is sourced from PubChem (CID 55227896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).