7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

C17H33NO — CID 619905

IUPAC7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCCC1(O)CC(C)N(C)C2CC(C(C)(C)C)CCC21
InChIInChI=1S/C17H33NO/c1-7-17(19)11-12(2)18(6)15-10-13(16(3,4)5)8-9-14(15)17/h12-15,19H,7-11H2,1-6H3
InChIKeyGRWARQPFUWAWDM-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.68
Rot. Bonds1

About 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol

7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (PubChem CID 619905) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.

Molecular Properties

Compound Name7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
PubChem CID619905
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
SMILESCCC1(O)CC(C)N(C)C2CC(C(C)(C)C)CCC21
InChIInChI=1S/C17H33NO/c1-7-17(19)11-12(2)18(6)15-10-13(16(3,4)5)8-9-14(15)17/h12-15,19H,7-11H2,1-6H3
InChIKeyGRWARQPFUWAWDM-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol with MolForge

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Related Compounds

1,4-Dimethyldecahydroquinolin-4-ol
CID 4038309
4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2alpha,4beta,4aalpha,8abeta)-
CID 140686
1,2-Dimethyl-4-butyldecahydro-4-quinolol
CID 602872
4-Ethynyl-1,2,7-trimethyl-trans-decahydroquinol-4-ol
CID 609846
4-Ethyl-1,2,7-trimethyl-trans-decahydroquinol-4-ol
CID 610792
1,4-Diethyl-2-methyldecahydro-4-quinolinol
CID 142277
1,2-Dimethyl-4-(4-dimethylaminobutyl)decahydro-4-quinolol
CID 12287372
1,2,7-Tri-methyldecahydro-4-quinolol
CID 12293288
1,2-Dimethyl-7-t-butyldecahydro-4-quinolol
CID 12293295
2,7-Dimethyl-4-ethyldecahydro-4-quinolol
CID 12293318
2-Methyl-7-t-butyl-4-ethyldecahydro-4-quinolol
CID 12293324
1,2,9-Trimethyl-4-ethynyldecahydro-4-quinolol
CID 129784058

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The IUPAC name of 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol (CID 619905) is 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol.
What is the SMILES notation for 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The canonical SMILES for 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is CCC1(O)CC(C)N(C)C2CC(C(C)(C)C)CCC21.
What is the InChIKey of 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
The InChIKey is GRWARQPFUWAWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-7-17(19)11-12(2)18(6)15-10-13(16(3,4)5)8-9-14(15)17/h12-15,19H,7-11H2,1-6H3.
What are the key properties of 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol?
7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol has a molecular weight of 267.46 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-4-ethyl-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol is sourced from PubChem (CID 619905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).