3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol

C17H32N2O — CID 64796232

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CN1CCC2CCCCC2C1)C1CC1
InChIInChI=1S/C17H32N2O/c1-2-18-17(13-20,16-7-8-16)12-19-10-9-14-5-3-4-6-15(14)11-19/h14-16,18,20H,2-13H2,1H3
InChIKeyIUJPYLTVIPPSHX-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.25
Rot. Bonds6

About 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol (PubChem CID 64796232) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
PubChem CID64796232
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CN1CCC2CCCCC2C1)C1CC1
InChIInChI=1S/C17H32N2O/c1-2-18-17(13-20,16-7-8-16)12-19-10-9-14-5-3-4-6-15(14)11-19/h14-16,18,20H,2-13H2,1H3
InChIKeyIUJPYLTVIPPSHX-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64798783
2-cyclopropyl-2-(ethylamino)-3-(4-propylazepan-1-yl)propan-1-ol
CID 64809169
2-cyclopropyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64790053
2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol
CID 64790214
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 115562636
2-cyclopropyl-2-(ethylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102746414
2-cyclopropyl-2-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-ol
CID 64790209
2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64795789
2-cyclopropyl-3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
CID 64789899
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylpropan-2-amine
CID 61267047
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylbutan-2-amine
CID 79811389
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103504047

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol (CID 64796232) is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol is CCNC(CO)(CN1CCC2CCCCC2C1)C1CC1.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The InChIKey is IUJPYLTVIPPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-2-18-17(13-20,16-7-8-16)12-19-10-9-14-5-3-4-6-15(14)11-19/h14-16,18,20H,2-13H2,1H3.
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol?
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-cyclopropyl-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64796232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).