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

C51H97N7 — CID 162045313

IUPAC6-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
SMILESCC(C)N1CC2CC1CN2.CC(C)N1CC2CC3CC(C2)CC1C3.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCC1CC2
InChIInChI=1S/C13H23N.C11H21N.C10H19N.C9H18N2.C8H16N2/c1-9(2)14-8-12-4-10-3-11(5-12)7-13(14)6-10;1-9(2)12-8-10-4-3-5-11(12)7-6-10;1-8(2)11-7-9-4-3-5-10(11)6-9;1-7(2)11-5-8-3-4-9(6-11)10-8;1-6(2)10-5-7-3-8(10)4-9-7/h9-13H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyYXUPYGUUKIFDAG-UHFFFAOYSA-N
MW808.39 g/mol
LogP9.11
Rot. Bonds5

About 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

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 (PubChem CID 162045313) has the molecular formula C51H97N7 and a molecular weight of 808.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID162045313
Molecular FormulaC51H97N7
Molecular Weight808.39 g/mol
Exact Mass807.78
IUPAC Name6-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
SMILESCC(C)N1CC2CC1CN2.CC(C)N1CC2CC3CC(C2)CC1C3.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCC1CC2
InChIInChI=1S/C13H23N.C11H21N.C10H19N.C9H18N2.C8H16N2/c1-9(2)14-8-12-4-10-3-11(5-12)7-13(14)6-10;1-9(2)12-8-10-4-3-5-11(12)7-6-10;1-8(2)11-7-9-4-3-5-10(11)6-9;1-7(2)11-5-8-3-4-9(6-11)10-8;1-6(2)10-5-7-3-8(10)4-9-7/h9-13H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3
InChIKeyYXUPYGUUKIFDAG-UHFFFAOYSA-N
XLogP9.11
TPSA40.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.39
LogP ≤ 59.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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
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
4-Methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 159328405
3,3-Dimethyl-6-propan-2-yl-6-azabicyclo[3.2.2]nonane;3,3-dimethyl-6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-methyl-6-propan-2-yl-6-azabicyclo[3.2.1]octane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;8-methyl-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1,3,3-trimethyl-6-propan-2-yl-6-azabicyclo[3.2.1]octane
CID 159830430
7-Azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;6-azabicyclo[3.2.1]octane;8-azabicyclo[3.2.1]octane
CID 159901614
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CC2CC1CN2.CC(C)N1CC2CC3CC(C2)CC1C3.CC(C)N1CC2CCC(C1)N2.CC(C)N1CC2CCCC1C2.CC(C)N1CC2CCCC1CC2.
What is the InChIKey of 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?
The InChIKey is YXUPYGUUKIFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.C11H21N.C10H19N.C9H18N2.C8H16N2/c1-9(2)14-8-12-4-10-3-11(5-12)7-13(14)6-10;1-9(2)12-8-10-4-3-5-11(12)7-6-10;1-8(2)11-7-9-4-3-5-10(11)6-9;1-7(2)11-5-8-3-4-9(6-11)10-8;1-6(2)10-5-7-3-8(10)4-9-7/h9-13H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 808.39 g/mol, XLogP of 9.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162045313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).