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

C82H159N13O — CID 158115963

IUPAC1,5-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
SMILESCC(C)C1CC2CC1N2.CC(C)N1C2CCC1C2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCC1CNC2.CC(C)N1CC2(C)CNCC(C)(C1)C2.CC(C)N1CC2CC1CN2.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCN2CCC1CC2
InChIInChI=1S/C12H24N2.C10H20N2.C10H19N.C9H18N2.C9H17N.C8H16N2.C8H15NO.2C8H15N/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11;1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-8(2)11-6-9-3-4-10(5-9)7-11;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)9-4-8-3-7(9)5-10-8;1-5(2)7-3-6-4-8(7)9-6;1-6(2)9-7-3-4-8(9)5-7/h10,13H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;5-9H,3-4H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyFQZRXYDZVXRVFH-UHFFFAOYSA-N
MW1343.26 g/mol
LogP12.20
Rot. Bonds9

About 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

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 (PubChem CID 158115963) has the molecular formula C82H159N13O and a molecular weight of 1343.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,5-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
PubChem CID158115963
Molecular FormulaC82H159N13O
Molecular Weight1343.26 g/mol
Exact Mass1342.28
IUPAC Name1,5-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
SMILESCC(C)C1CC2CC1N2.CC(C)N1C2CCC1C2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCC1CNC2.CC(C)N1CC2(C)CNCC(C)(C1)C2.CC(C)N1CC2CC1CN2.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCN2CCC1CC2
InChIInChI=1S/C12H24N2.C10H20N2.C10H19N.C9H18N2.C9H17N.C8H16N2.C8H15NO.2C8H15N/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11;1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-8(2)11-6-9-3-4-10(5-9)7-11;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)9-4-8-3-7(9)5-10-8;1-5(2)7-3-6-4-8(7)9-6;1-6(2)9-7-3-4-8(9)5-7/h10,13H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;5-9H,3-4H2,1-2H3;6-8H,3-5H2,1-2H3
InChIKeyFQZRXYDZVXRVFH-UHFFFAOYSA-N
XLogP12.20
TPSA86.51 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.26
LogP ≤ 512.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1CC2CC1N2.CC(C)N1C2CCC1C2.CC(C)N1C2CCC1CC2.CC(C)N1C2CCC1CNC2.CC(C)N1CC2(C)CNCC(C)(C1)C2.CC(C)N1CC2CC1CN2.CC(C)N1CC2CC1CO2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CCN2CCC1CC2.
What is the InChIKey of 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?
The InChIKey is FQZRXYDZVXRVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C10H20N2.C10H19N.C9H18N2.C9H17N.C8H16N2.C8H15NO.2C8H15N/c1-10(2)14-8-11(3)5-12(4,9-14)7-13-6-11;1-9(2)12-8-7-11-5-3-10(12)4-6-11;1-8(2)11-6-9-3-4-10(5-9)7-11;1-7(2)11-8-3-4-9(11)6-10-5-8;1-7(2)10-8-3-4-9(10)6-5-8;1-6(2)10-5-7-3-8(10)4-9-7;1-6(2)9-4-8-3-7(9)5-10-8;1-5(2)7-3-6-4-8(7)9-6;1-6(2)9-7-3-4-8(9)5-7/h10,13H,5-9H2,1-4H3;9-10H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;5-9H,3-4H2,1-2H3;6-8H,3-5H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1343.26 g/mol, XLogP of 12.20, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158115963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).