6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C51H96N6 — CID 158457928

IUPAC6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1C2CC3CC(C2)CC1C3.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCC1CC2
InChIInChI=1S/C12H21N.C11H21N.2C10H19N.C8H16N2/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;1-9(2)12-8-10-4-3-5-11(12)7-6-10;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-7-9-4-3-5-10(11)6-9;1-6(2)10-5-7-3-8(10)4-9-7/h8-12H,3-7H2,1-2H3;9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyHEUMLHCIJKVGSP-UHFFFAOYSA-N
MW793.37 g/mol
LogP10.15
Rot. Bonds5

About 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 158457928) has the molecular formula C51H96N6 and a molecular weight of 793.37 g/mol. Its IUPAC name is 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID158457928
Molecular FormulaC51H96N6
Molecular Weight793.37 g/mol
Exact Mass792.77
IUPAC Name6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1C2CC3CC(C2)CC1C3.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCC1CC2
InChIInChI=1S/C12H21N.C11H21N.2C10H19N.C8H16N2/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;1-9(2)12-8-10-4-3-5-11(12)7-6-10;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-7-9-4-3-5-10(11)6-9;1-6(2)10-5-7-3-8(10)4-9-7/h8-12H,3-7H2,1-2H3;9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyHEUMLHCIJKVGSP-UHFFFAOYSA-N
XLogP10.15
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.37
LogP ≤ 510.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Related Compounds

3-Propan-2-yl-3-azabicyclo[3.2.2]nonane;6-propan-2-yl-6-azabicyclo[3.2.2]nonane;9-propan-2-yl-9-azabicyclo[4.2.1]nonane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-propan-2-yl-1-azoniatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 157590034
2-Azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;bis(3-azabicyclo[3.2.1]octane);bicyclo[3.3.1]nonane;bicyclo[3.2.1]octane;2,5-diazabicyclo[2.2.1]heptane;3,7-diazabicyclo[3.3.1]nonane
CID 159107883
3-Propan-2-yl-3-azabicyclo[3.2.2]nonane;6-propan-2-yl-6-azabicyclo[3.2.2]nonane;9-propan-2-yl-9-azabicyclo[4.2.1]nonane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;4-propan-2-yl-4-azatricyclo[4.3.1.13,8]undecane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 161702517
6-Propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;4-propan-2-yl-4-azatricyclo[4.3.1.13,8]undecane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 161959713
6-Propan-2-yl-6-azabicyclo[3.2.2]nonane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;4-propan-2-yl-4-azatricyclo[4.3.1.13,8]undecane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 162045313
1,4-dimethyl-4-(2-methylpropyl)piperidine;2,6-dimethyl-4-(2-methylpropyl)piperidine;4-ethyl-1-methyl-4-(2-methylpropyl)piperidine;1-ethyl-1-(2-methylpropyl)cyclohexane;methane;bis((1S,5R)-8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane);8-methyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;1-methyl-4-(2-methylpropyl)azepane;4-methyl-4-(2-methylpropyl)piperidine;bis((1S,5R)-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane);4-(2-methylpropyl)azepane;3-(2-methylpropyl)bicyclo[3.2.1]octane;4-(2-methylpropyl)-1-propylpiperidine
CID 167600755

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 158457928) is 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1C2CC3CC(C2)CC1C3.CC(C)N1CC2CC1CN2.CC(C)N1CC2CCC(C2)C1.CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCC1CC2.
What is the InChIKey of 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is HEUMLHCIJKVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C11H21N.2C10H19N.C8H16N2/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9;1-9(2)12-8-10-4-3-5-11(12)7-6-10;1-8(2)11-6-9-3-4-10(5-9)7-11;1-8(2)11-7-9-4-3-5-10(11)6-9;1-6(2)10-5-7-3-8(10)4-9-7/h8-12H,3-7H2,1-2H3;9-11H,3-8H2,1-2H3;2*8-10H,3-7H2,1-2H3;6-9H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 793.37 g/mol, XLogP of 10.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-propan-2-yl-2-azatricyclo[3.3.1.13,7]decane;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 158457928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).