1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole

C10H19N — CID 524515

IUPAC1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCCN1CCC2CCCCC21
InChIInChI=1S/C10H19N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h9-10H,2-8H2,1H3
InChIKeyGSXWVOZWKACRTO-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds1

About 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole

1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 524515) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID524515
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCCN1CCC2CCCCC21
InChIInChI=1S/C10H19N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h9-10H,2-8H2,1H3
InChIKeyGSXWVOZWKACRTO-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

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Related Compounds

(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
(3aR,7aR)-1-(2-methoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130723594
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methylbutan-2-amine
CID 82747657
1-(2,2-dimethoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750043
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetaldehyde
CID 82749846
1-(3-bromopropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749789
1-ethyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-b]pyridine
CID 102567834
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82752526
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine
CID 82750399

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole (CID 524515) is 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole is CCN1CCC2CCCCC21.
What is the InChIKey of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is GSXWVOZWKACRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-11-8-7-9-5-3-4-6-10(9)11/h9-10H,2-8H2,1H3.
What are the key properties of 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole?
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 153.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 524515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).