1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane

C71H132N8 — CID 158980405

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
SMILESC1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1CCC2NCCCC2C1.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C
InChIInChI=1S/C10H17N.3C10H19N.C9H17N.C8H15N.2C7H13N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-9(2)8-4-5-10(9,3)7-11-6-8;1-9(2)8-5-4-6-10(9,3)7-11-8;1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-4-3-7(1)5-9-6-8;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6/h7-11H,1-6H2;3*8,11H,4-7H2,1-3H3;8-10H,1-7H2;7-9H,1-6H2;2*6-8H,1-5H2
InChIKeyJOXQZCFQTJJJQL-UHFFFAOYSA-N
MW1097.89 g/mol
LogP13.64
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 158980405) has the molecular formula C71H132N8 and a molecular weight of 1097.89 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
PubChem CID158980405
Molecular FormulaC71H132N8
Molecular Weight1097.89 g/mol
Exact Mass1097.06
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
SMILESC1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1CCC2NCCCC2C1.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C
InChIInChI=1S/C10H17N.3C10H19N.C9H17N.C8H15N.2C7H13N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-9(2)8-4-5-10(9,3)7-11-6-8;1-9(2)8-5-4-6-10(9,3)7-11-8;1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-4-3-7(1)5-9-6-8;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6/h7-11H,1-6H2;3*8,11H,4-7H2,1-3H3;8-10H,1-7H2;7-9H,1-6H2;2*6-8H,1-5H2
InChIKeyJOXQZCFQTJJJQL-UHFFFAOYSA-N
XLogP13.64
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001097.89
LogP ≤ 513.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;adamantan-1-amine;adamantan-2-amine;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane
CID 157089010
Adamantane;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
CID 157424933
3-Azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
CID 158558851
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 158594874
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;adamantan-1-amine;adamantan-2-amine;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
CID 158711345
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;methane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 159949304
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
CID 160424349
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;adamantan-1-amine;adamantan-2-amine;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane
CID 161713214
1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 161948053

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane (CID 158980405) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane is C1CC2CCC1CNC2.C1CC2CNC(C1)C2.C1CC2CNCC1C2.C1CCC2NCCCC2C1.C1NC2CC3CC1CC(C3)C2.CC1(C)CC2CC(C)(CN2)C1.CC12CCC(CNC1)C2(C)C.CC12CCCC(NC1)C2(C)C.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is JOXQZCFQTJJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.3C10H19N.C9H17N.C8H15N.2C7H13N/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;1-9(2)4-8-5-10(3,6-9)7-11-8;1-9(2)8-4-5-10(9,3)7-11-6-8;1-9(2)8-5-4-6-10(9,3)7-11-8;1-2-6-9-8(4-1)5-3-7-10-9;1-2-8-4-3-7(1)5-9-6-8;1-2-7-3-6(1)4-8-5-7;1-2-6-4-7(3-1)8-5-6/h7-11H,1-6H2;3*8,11H,4-7H2,1-3H3;8-10H,1-7H2;7-9H,1-6H2;2*6-8H,1-5H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 1097.89 g/mol, XLogP of 13.64, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;3-azabicyclo[3.2.2]nonane;3-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;4-azatricyclo[4.3.1.13,8]undecane;1,3,3-trimethyl-6-azabicyclo[3.2.1]octane;1,8,8-trimethyl-3-azabicyclo[3.2.1]octane;1,8,8-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 158980405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).