2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane

C25H48N2 — CID 157491236

IUPAC2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane
SMILESCC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CCC1CN2C(C)C
InChIInChI=1S/C13H25N.C12H23N/c1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h9-13H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3
InChIKeyBXHMKXMVKHWIBX-UHFFFAOYSA-N
MW376.67 g/mol
LogP5.91
Rot. Bonds4

About 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane

2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane (PubChem CID 157491236) has the molecular formula C25H48N2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane
PubChem CID157491236
Molecular FormulaC25H48N2
Molecular Weight376.67 g/mol
Exact Mass376.38
IUPAC Name2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane
SMILESCC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CCC1CN2C(C)C
InChIInChI=1S/C13H25N.C12H23N/c1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h9-13H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3
InChIKeyBXHMKXMVKHWIBX-UHFFFAOYSA-N
XLogP5.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane (CID 157491236) is 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane is CC(C)C1CC2CC1CN2C(C)C.CC(C)C1CC2CCC1CN2C(C)C.
What is the InChIKey of 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane?
The InChIKey is BXHMKXMVKHWIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.C12H23N/c1-9(2)13-7-12-6-5-11(13)8-14(12)10(3)4;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4/h9-13H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane?
2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane has a molecular weight of 376.67 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,5-di(propan-2-yl)-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 157491236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).