tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate

C14H26N2O2 — CID 83488482

IUPACtert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2CC(N)CCC21
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-4-5-10-9-11(15)6-7-12(10)16/h10-12H,4-9,15H2,1-3H3
InChIKeyYPAOLNGJEGCXIG-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.51
Rot. Bonds

About tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate

tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate (PubChem CID 83488482) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
PubChem CID83488482
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2CC(N)CCC21
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-4-5-10-9-11(15)6-7-12(10)16/h10-12H,4-9,15H2,1-3H3
InChIKeyYPAOLNGJEGCXIG-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate
CID 91798850
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CID 178143547
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-2H-quinoline-1-carboxylate
CID 58739337
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
tert-butyl 3-(3-aminocyclohexyl)piperidine-1-carboxylate
CID 91798867
tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
CID 139022722
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
tert-butyl 4-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 117045380
tert-butyl (2S)-5-methyl-2-(1-methylpiperidin-3-yl)piperidine-1-carboxylate
CID 175470666

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate (CID 83488482) is tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1CCCC2CC(N)CCC21.
What is the InChIKey of tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate?
The InChIKey is YPAOLNGJEGCXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-4-5-10-9-11(15)6-7-12(10)16/h10-12H,4-9,15H2,1-3H3.
What are the key properties of tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate?
tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 83488482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).