9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane

C19H34N2O — CID 56903234

IUPAC9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESC1CCN2CCC[C@@H](CN3CCC4(CCOCC4)CC3)[C@H]2C1
InChIInChI=1S/C19H34N2O/c1-2-10-21-11-3-4-17(18(21)5-1)16-20-12-6-19(7-13-20)8-14-22-15-9-19/h17-18H,1-16H2/t17-,18+/m0/s1
InChIKeyMZLPPYMWYMXWOY-ZWKOTPCHSA-N
MW306.49 g/mol
LogP3.14
Rot. Bonds2

About 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane

9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 56903234) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
PubChem CID56903234
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
SMILESC1CCN2CCC[C@@H](CN3CCC4(CCOCC4)CC3)[C@H]2C1
InChIInChI=1S/C19H34N2O/c1-2-10-21-11-3-4-17(18(21)5-1)16-20-12-6-19(7-13-20)8-14-22-15-9-19/h17-18H,1-16H2/t17-,18+/m0/s1
InChIKeyMZLPPYMWYMXWOY-ZWKOTPCHSA-N
XLogP3.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane with MolForge

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Related Compounds

8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56912126
1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methylpiperidin-4-amine
CID 143088221
2-(8-azaspiro[4.5]decan-8-ylmethyl)cycloheptan-1-amine
CID 63159739
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperazin-2-one
CID 50971793
1-[[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]pyrrolidine-2,5-dione
CID 91752858
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide
CID 125321723
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-phenyloxane-4-carboxamide
CID 163049358
9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56896311
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 46996949

Frequently Asked Questions

What is the IUPAC name of 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane (CID 56903234) is 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane is C1CCN2CCC[C@@H](CN3CCC4(CCOCC4)CC3)[C@H]2C1.
What is the InChIKey of 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is MZLPPYMWYMXWOY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H34N2O/c1-2-10-21-11-3-4-17(18(21)5-1)16-20-12-6-19(7-13-20)8-14-22-15-9-19/h17-18H,1-16H2/t17-,18+/m0/s1.
What are the key properties of 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane?
9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 306.49 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 56903234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).