2-propan-2-ylbicyclo[2.2.2]octan-1-amine

C11H21N — CID 134330644

IUPAC2-propan-2-ylbicyclo[2.2.2]octan-1-amine
SMILESCC(C)C1CC2CCC1(N)CC2
InChIInChI=1S/C11H21N/c1-8(2)10-7-9-3-5-11(10,12)6-4-9/h8-10H,3-7,12H2,1-2H3
InChIKeyVWBMZXRUOAAQDG-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds1

About 2-propan-2-ylbicyclo[2.2.2]octan-1-amine

2-propan-2-ylbicyclo[2.2.2]octan-1-amine (PubChem CID 134330644) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-propan-2-ylbicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name2-propan-2-ylbicyclo[2.2.2]octan-1-amine
PubChem CID134330644
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-propan-2-ylbicyclo[2.2.2]octan-1-amine
SMILESCC(C)C1CC2CCC1(N)CC2
InChIInChI=1S/C11H21N/c1-8(2)10-7-9-3-5-11(10,12)6-4-9/h8-10H,3-7,12H2,1-2H3
InChIKeyVWBMZXRUOAAQDG-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbicyclo[2.2.2]octan-1-amine?
The IUPAC name of 2-propan-2-ylbicyclo[2.2.2]octan-1-amine (CID 134330644) is 2-propan-2-ylbicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 2-propan-2-ylbicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 2-propan-2-ylbicyclo[2.2.2]octan-1-amine is CC(C)C1CC2CCC1(N)CC2.
What is the InChIKey of 2-propan-2-ylbicyclo[2.2.2]octan-1-amine?
The InChIKey is VWBMZXRUOAAQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-7-9-3-5-11(10,12)6-4-9/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 2-propan-2-ylbicyclo[2.2.2]octan-1-amine?
2-propan-2-ylbicyclo[2.2.2]octan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 134330644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).