1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane

C65H122N12 — CID 160661074

IUPAC1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane
SMILESC1CC2CC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCCC(C1)N2.C1CC2CNCC1C2.C1CC2CNCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1NCC2CC1C2.C1NCC2CC1N2
InChIInChI=1S/C8H15N.4C7H13N.C6H12N2.3C6H11N.C5H10N2/c1-3-7-5-2-6-8(4-1)9-7;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-2-6-4-7-3-5(1)8-6;1-5-2-6(1)4-7-3-5;1-3-7-4-2-6(1)5-7;1-2-5-4-6(3-1)7-5;1-4-2-6-3-5(1)7-4/h7-9H,1-6H2;7H,1-6H2;3*6-8H,1-5H2;5-8H,1-4H2;5-7H,1-4H2;6H,1-5H2;5-7H,1-4H2;4-7H,1-3H2
InChIKeyRLRGZDJGZQXBQN-UHFFFAOYSA-N
MW1071.77 g/mol
LogP7.49
Rot. Bonds

About 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane

1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane (PubChem CID 160661074) has the molecular formula C65H122N12 and a molecular weight of 1071.77 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane
PubChem CID160661074
Molecular FormulaC65H122N12
Molecular Weight1071.77 g/mol
Exact Mass1070.99
IUPAC Name1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane
SMILESC1CC2CC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCCC(C1)N2.C1CC2CNCC1C2.C1CC2CNCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1NCC2CC1C2.C1NCC2CC1N2
InChIInChI=1S/C8H15N.4C7H13N.C6H12N2.3C6H11N.C5H10N2/c1-3-7-5-2-6-8(4-1)9-7;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-2-6-4-7-3-5(1)8-6;1-5-2-6(1)4-7-3-5;1-3-7-4-2-6(1)5-7;1-2-5-4-6(3-1)7-5;1-4-2-6-3-5(1)7-4/h7-9H,1-6H2;7H,1-6H2;3*6-8H,1-5H2;5-8H,1-4H2;5-7H,1-4H2;6H,1-5H2;5-7H,1-4H2;4-7H,1-3H2
InChIKeyRLRGZDJGZQXBQN-UHFFFAOYSA-N
XLogP7.49
TPSA126.78 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001071.77
LogP ≤ 57.49
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane with MolForge

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Related Compounds

6-Tert-butyl-6-azabicyclo[3.1.1]heptane;3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;6-tert-butyl-3,6-diazabicyclo[3.1.1]heptane;3-tert-butyl-3,8-diazabicyclo[3.2.1]octane;8-tert-butyl-2,8-diazabicyclo[3.2.1]octane;8-tert-butyl-3,8-diazabicyclo[3.2.1]octane
CID 159784552
1-Azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane
CID 160790690

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane (CID 160661074) is 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane is C1CC2CC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC1CN2.C1CC2CCCC(C1)N2.C1CC2CNCC1C2.C1CC2CNCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1NCC2CC1C2.C1NCC2CC1N2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane?
The InChIKey is RLRGZDJGZQXBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.4C7H13N.C6H12N2.3C6H11N.C5H10N2/c1-3-7-5-2-6-8(4-1)9-7;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-5-7(3-1)8-6;1-2-6-4-7-3-5(1)8-6;1-5-2-6(1)4-7-3-5;1-3-7-4-2-6(1)5-7;1-2-5-4-6(3-1)7-5;1-4-2-6-3-5(1)7-4/h7-9H,1-6H2;7H,1-6H2;3*6-8H,1-5H2;5-8H,1-4H2;5-7H,1-4H2;6H,1-5H2;5-7H,1-4H2;4-7H,1-3H2.
What are the key properties of 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane?
1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane has a molecular weight of 1071.77 g/mol, XLogP of 7.49, 0 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;6-azabicyclo[3.1.1]heptane;9-azabicyclo[3.3.1]nonane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane;3,6-diazabicyclo[3.1.1]heptane;3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 160661074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).