2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane

C26H52N2 — CID 158042045

IUPAC2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane
SMILESC.CC(C)C1C2CCC(C2)N1C(C)C.CC(C)C1C2CCC(CC2)N1C(C)C
InChIInChI=1S/C13H25N.C12H23N.CH4/c1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;/h9-13H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;1H4
InChIKeyFILWEQLAPQNZRC-UHFFFAOYSA-N
MW392.72 g/mol
LogP6.83
Rot. Bonds4

About 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane

2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane (PubChem CID 158042045) has the molecular formula C26H52N2 and a molecular weight of 392.72 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane
PubChem CID158042045
Molecular FormulaC26H52N2
Molecular Weight392.72 g/mol
Exact Mass392.41
IUPAC Name2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane
SMILESC.CC(C)C1C2CCC(C2)N1C(C)C.CC(C)C1C2CCC(CC2)N1C(C)C
InChIInChI=1S/C13H25N.C12H23N.CH4/c1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;/h9-13H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;1H4
InChIKeyFILWEQLAPQNZRC-UHFFFAOYSA-N
XLogP6.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.72
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane?
The IUPAC name of 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane (CID 158042045) is 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane.
What is the SMILES notation for 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane?
The canonical SMILES for 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane is C.CC(C)C1C2CCC(C2)N1C(C)C.CC(C)C1C2CCC(CC2)N1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane?
The InChIKey is FILWEQLAPQNZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C12H23N.CH4/c1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;/h9-13H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;1H4.
What are the key properties of 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane?
2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane has a molecular weight of 392.72 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;methane is sourced from PubChem (CID 158042045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).