(3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane

C67H132N14O6 — CID 160694475

IUPAC(3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1C[C@@H]2NCC23C[C@@H]13.C1OC2CNC1C2.C1O[C@@H]2CN[C@H]1C2.CC1CNCC(C)O1.CN1CC2CC1CN2.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@@H]2NCC23C[C@@H]13.C[C@@H]1CCC[C@H](C)N1.C[C@@H]1CNC[C@@H](C)O1.C[C@@H]1CNC[C@H](C)O1.C[C@H]1CNC[C@H](C)O1
InChIInChI=1S/C7H12N2.C7H11N.C7H15N.2C6H12N2.4C6H13NO.2C5H9NO/c1-9-3-5-7(4-8-5)2-6(7)9;1-2-6-7(4-8-6)3-5(1)7;1-6-4-3-5-7(2)8-6;2*1-8-4-5-2-6(8)3-7-5;4*1-5-3-7-4-6(2)8-5;2*1-4-3-7-5(1)2-6-4/h5-6,8H,2-4H2,1H3;5-6,8H,1-4H2;6-8H,3-5H2,1-2H3;2*5-7H,2-4H2,1H3;4*5-7H,3-4H2,1-2H3;2*4-6H,1-3H2/t2*5-,6+,7?;6-,7+;5-,6-;;5-,6+;2*5-,6-;;4-,5-;/m01.0..10.0./s1
InChIKeyRPVBYKRJJILCPB-AIKPRJEZSA-N
MW1229.88 g/mol
LogP2.31
Rot. Bonds

About (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane

(3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 160694475) has the molecular formula C67H132N14O6 and a molecular weight of 1229.88 g/mol. Its IUPAC name is (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID160694475
Molecular FormulaC67H132N14O6
Molecular Weight1229.88 g/mol
Exact Mass1229.05
IUPAC Name(3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane
SMILESC1C[C@@H]2NCC23C[C@@H]13.C1OC2CNC1C2.C1O[C@@H]2CN[C@H]1C2.CC1CNCC(C)O1.CN1CC2CC1CN2.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@@H]2NCC23C[C@@H]13.C[C@@H]1CCC[C@H](C)N1.C[C@@H]1CNC[C@@H](C)O1.C[C@@H]1CNC[C@H](C)O1.C[C@H]1CNC[C@H](C)O1
InChIInChI=1S/C7H12N2.C7H11N.C7H15N.2C6H12N2.4C6H13NO.2C5H9NO/c1-9-3-5-7(4-8-5)2-6(7)9;1-2-6-7(4-8-6)3-5(1)7;1-6-4-3-5-7(2)8-6;2*1-8-4-5-2-6(8)3-7-5;4*1-5-3-7-4-6(2)8-5;2*1-4-3-7-5(1)2-6-4/h5-6,8H,2-4H2,1H3;5-6,8H,1-4H2;6-8H,3-5H2,1-2H3;2*5-7H,2-4H2,1H3;4*5-7H,3-4H2,1-2H3;2*4-6H,1-3H2/t2*5-,6+,7?;6-,7+;5-,6-;;5-,6+;2*5-,6-;;4-,5-;/m01.0..10.0./s1
InChIKeyRPVBYKRJJILCPB-AIKPRJEZSA-N
XLogP2.31
TPSA197.43 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001229.88
LogP ≤ 52.31
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

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Related Compounds

1,5-Dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;2-propan-2-yl-5-azabicyclo[2.1.1]hexane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-propan-2-yl-1,4-diazabicyclo[3.2.2]nonane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 158115963
2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole;2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine;3-tert-butyl-3-azabicyclo[3.2.0]heptane;3-tert-butyl-3,6-diazabicyclo[3.2.0]heptane;2-tert-butyl-2,5-diazabicyclo[2.2.2]octane;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;3-tert-butyloxolane;3,7-diazabicyclo[4.2.0]octane;3,8-diazabicyclo[4.2.0]octane;2,5-ditert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2,5-ditert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;pentakis(2,2-dimethylpropane);heptakis(2-methylpropane)
CID 159178062
CID 160586855
CID 160586855
CID 160904761
CID 160904761
CID 161472286
CID 161472286

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane (CID 160694475) is (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane is C1C[C@@H]2NCC23C[C@@H]13.C1OC2CNC1C2.C1O[C@@H]2CN[C@H]1C2.CC1CNCC(C)O1.CN1CC2CC1CN2.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@@H]2NCC23C[C@@H]13.C[C@@H]1CCC[C@H](C)N1.C[C@@H]1CNC[C@@H](C)O1.C[C@@H]1CNC[C@H](C)O1.C[C@H]1CNC[C@H](C)O1.
What is the InChIKey of (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is RPVBYKRJJILCPB-AIKPRJEZSA-N. The full InChI is InChI=1S/C7H12N2.C7H11N.C7H15N.2C6H12N2.4C6H13NO.2C5H9NO/c1-9-3-5-7(4-8-5)2-6(7)9;1-2-6-7(4-8-6)3-5(1)7;1-6-4-3-5-7(2)8-6;2*1-8-4-5-2-6(8)3-7-5;4*1-5-3-7-4-6(2)8-5;2*1-4-3-7-5(1)2-6-4/h5-6,8H,2-4H2,1H3;5-6,8H,1-4H2;6-8H,3-5H2,1-2H3;2*5-7H,2-4H2,1H3;4*5-7H,3-4H2,1-2H3;2*4-6H,1-3H2/t2*5-,6+,7?;6-,7+;5-,6-;;5-,6+;2*5-,6-;;4-,5-;/m01.0..10.0./s1.
What are the key properties of (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane?
(3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 1229.88 g/mol, XLogP of 2.31, 0 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-7-azatricyclo[4.2.0.01,3]octane;2,6-dimethylmorpholine;(2S,6S)-2,6-dimethylmorpholine;(2R,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylmorpholine;(2S,6R)-2,6-dimethylpiperidine;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane;(3R,6R)-4-methyl-4,7-diazatricyclo[4.2.0.01,3]octane;(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 160694475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).