2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine

C14H28N2O — CID 113493229

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine
SMILESCCOCC(C)(CN)N1CCC2CCCCC21
InChIInChI=1S/C14H28N2O/c1-3-17-11-14(2,10-15)16-9-8-12-6-4-5-7-13(12)16/h12-13H,3-11,15H2,1-2H3
InChIKeyMWCGYCYXKINCJB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds5

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine (PubChem CID 113493229) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine
PubChem CID113493229
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine
SMILESCCOCC(C)(CN)N1CCC2CCCCC21
InChIInChI=1S/C14H28N2O/c1-3-17-11-14(2,10-15)16-9-8-12-6-4-5-7-13(12)16/h12-13H,3-11,15H2,1-2H3
InChIKeyMWCGYCYXKINCJB-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine with MolForge

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Related Compounds

2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine
CID 102725677
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
CID 82747633
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179040
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine
CID 82746702
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
3-methoxy-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 62534541
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 82746824
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine
CID 82750399
2-N-cyclohexyl-3-ethoxy-2-N-ethyl-2-methylpropane-1,2-diamine
CID 113493169
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-amino-2-methylpropan-2-ol
CID 102728937
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine (CID 113493229) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine is CCOCC(C)(CN)N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine?
The InChIKey is MWCGYCYXKINCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-17-11-14(2,10-15)16-9-8-12-6-4-5-7-13(12)16/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 113493229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).