7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C17H30N2O2 — CID 43628167

IUPAC7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1N1CCCC3CCCCC31)OCCO2
InChIInChI=1S/C17H30N2O2/c18-14-7-8-17(20-10-11-21-17)12-16(14)19-9-3-5-13-4-1-2-6-15(13)19/h13-16H,1-12,18H2
InChIKeyDUDGJQOTUHCSPT-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.26
Rot. Bonds1

About 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43628167) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43628167
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1N1CCCC3CCCCC31)OCCO2
InChIInChI=1S/C17H30N2O2/c18-14-7-8-17(20-10-11-21-17)12-16(14)19-9-3-5-13-4-1-2-6-15(13)19/h13-16H,1-12,18H2
InChIKeyDUDGJQOTUHCSPT-UHFFFAOYSA-N
XLogP2.26
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine with MolForge

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cycloheptan-1-amine
CID 65321124
7-(4,4-dimethylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 55156891
7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43211400
7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62090199
7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 104958510
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
7-(4-propylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62200558
7-(3,4,5-trimethylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 114537727
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,4,4-trimethylcyclohexan-1-amine
CID 102726068
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710
7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 62123551
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 95157303

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 43628167) is 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1N1CCCC3CCCCC31)OCCO2.
What is the InChIKey of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is DUDGJQOTUHCSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c18-14-7-8-17(20-10-11-21-17)12-16(14)19-9-3-5-13-4-1-2-6-15(13)19/h13-16H,1-12,18H2.
What are the key properties of 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 294.44 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43628167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).