6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane

C47H89N5 — CID 161082605

IUPAC6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1C2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CCC2
InChIInChI=1S/C11H21N.C10H19N.2C9H17N.C8H15N/c1-9(2)12-10-5-3-6-11(12)8-4-7-10;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-8-3-4-9(10)6-5-8;1-7(2)10-8-4-3-5-9(10)6-8;1-6(2)9-7-3-4-8(9)5-7/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyUGCIAOGFCCBOOC-UHFFFAOYSA-N
MW724.26 g/mol
LogP10.89
Rot. Bonds5

About 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane

6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 161082605) has the molecular formula C47H89N5 and a molecular weight of 724.26 g/mol. Its IUPAC name is 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID161082605
Molecular FormulaC47H89N5
Molecular Weight724.26 g/mol
Exact Mass723.71
IUPAC Name6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1C2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CCC2
InChIInChI=1S/C11H21N.C10H19N.2C9H17N.C8H15N/c1-9(2)12-10-5-3-6-11(12)8-4-7-10;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-8-3-4-9(10)6-5-8;1-7(2)10-8-4-3-5-9(10)6-8;1-6(2)9-7-3-4-8(9)5-7/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyUGCIAOGFCCBOOC-UHFFFAOYSA-N
XLogP10.89
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.26
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

6-Methyl-6-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160210570
Ethane;3-methyl-3-azabicyclo[3.1.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;5-methyl-5-azabicyclo[2.1.1]hexane;9-methyl-9-azabicyclo[3.3.1]nonane;8-methyl-8-azabicyclo[3.2.1]octane
CID 160875120

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 161082605) is 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)N1C2CCC1C2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCCC1C2.CC(C)N1C2CCCC1CC2.CC(C)N1C2CCCC1CCC2.
What is the InChIKey of 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is UGCIAOGFCCBOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C10H19N.2C9H17N.C8H15N/c1-9(2)12-10-5-3-6-11(12)8-4-7-10;1-8(2)11-9-4-3-5-10(11)7-6-9;1-7(2)10-8-3-4-9(10)6-5-8;1-7(2)10-8-4-3-5-9(10)6-8;1-6(2)9-7-3-4-8(9)5-7/h9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane?
6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 724.26 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-6-azabicyclo[3.1.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;5-propan-2-yl-5-azabicyclo[2.1.1]hexane;9-propan-2-yl-9-azabicyclo[3.3.1]nonane;8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 161082605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).