2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane

C11H21N — CID 54121371

IUPAC2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane
SMILESCC1C(C)C2C(C)C(C)C1N2C
InChIInChI=1S/C11H21N/c1-6-7(2)11-9(4)8(3)10(6)12(11)5/h6-11H,1-5H3
InChIKeyNNXKSQRSYCYVGY-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.23
Rot. Bonds

About 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane

2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane (PubChem CID 54121371) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane
PubChem CID54121371
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane
SMILESCC1C(C)C2C(C)C(C)C1N2C
InChIInChI=1S/C11H21N/c1-6-7(2)11-9(4)8(3)10(6)12(11)5/h6-11H,1-5H3
InChIKeyNNXKSQRSYCYVGY-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane (CID 54121371) is 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane is CC1C(C)C2C(C)C(C)C1N2C.
What is the InChIKey of 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is NNXKSQRSYCYVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7(2)11-9(4)8(3)10(6)12(11)5/h6-11H,1-5H3.
What are the key properties of 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane?
2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 167.30 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7-pentamethyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 54121371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).