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

C68H132N8 — CID 159830430

IUPAC3,3-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
SMILESCC(C)N1CC2(C)CC1CC(C)(C)C2.CC(C)N1CC2(C)CCCC1C2.CC(C)N1CC2CC1CC(C)(C)C2.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CC2CCC1CC(C)(C)C2
InChIInChI=1S/2C13H25N.C12H23N.C11H21N.C10H20N2.C9H18N2/c1-10(2)14-9-13(5)7-11(14)6-12(3,4)8-13;1-10(2)14-9-11-5-6-12(14)8-13(3,4)7-11;1-9(2)13-8-10-5-11(13)7-12(3,4)6-10;1-9(2)12-8-11(3)6-4-5-10(12)7-11;1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-7(2)11-6-8-4-9(11)5-10(8)3/h10-11H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3
InChIKeyNNJVAVNZOAPKDH-UHFFFAOYSA-N
MW1061.86 g/mol
LogP14.11
Rot. Bonds6

About 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

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 (PubChem CID 159830430) has the molecular formula C68H132N8 and a molecular weight of 1061.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3-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
PubChem CID159830430
Molecular FormulaC68H132N8
Molecular Weight1061.86 g/mol
Exact Mass1061.06
IUPAC Name3,3-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
SMILESCC(C)N1CC2(C)CC1CC(C)(C)C2.CC(C)N1CC2(C)CCCC1C2.CC(C)N1CC2CC1CC(C)(C)C2.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CC2CCC1CC(C)(C)C2
InChIInChI=1S/2C13H25N.C12H23N.C11H21N.C10H20N2.C9H18N2/c1-10(2)14-9-13(5)7-11(14)6-12(3,4)8-13;1-10(2)14-9-11-5-6-12(14)8-13(3,4)7-11;1-9(2)13-8-10-5-11(13)7-12(3,4)6-10;1-9(2)12-8-11(3)6-4-5-10(12)7-11;1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-7(2)11-6-8-4-9(11)5-10(8)3/h10-11H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3
InChIKeyNNJVAVNZOAPKDH-UHFFFAOYSA-N
XLogP14.11
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.86
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CC2(C)CC1CC(C)(C)C2.CC(C)N1CC2(C)CCCC1C2.CC(C)N1CC2CC1CC(C)(C)C2.CC(C)N1CC2CC1CN2C.CC(C)N1CC2CCC(C1)N2C.CC(C)N1CC2CCC1CC(C)(C)C2.
What is the InChIKey of 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?
The InChIKey is NNJVAVNZOAPKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25N.C12H23N.C11H21N.C10H20N2.C9H18N2/c1-10(2)14-9-13(5)7-11(14)6-12(3,4)8-13;1-10(2)14-9-11-5-6-12(14)8-13(3,4)7-11;1-9(2)13-8-10-5-11(13)7-12(3,4)6-10;1-9(2)12-8-11(3)6-4-5-10(12)7-11;1-8(2)12-6-9-4-5-10(7-12)11(9)3;1-7(2)11-6-8-4-9(11)5-10(8)3/h10-11H,6-9H2,1-5H3;10-12H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1061.86 g/mol, XLogP of 14.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159830430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).