2,4,6-trimethylbicyclo[3.2.1]octan-1-amine

C11H21N — CID 123170576

IUPAC2,4,6-trimethylbicyclo[3.2.1]octan-1-amine
SMILESCC1CC(C)C2(N)CC(C)C1C2
InChIInChI=1S/C11H21N/c1-7-4-9(3)11(12)5-8(2)10(7)6-11/h7-10H,4-6,12H2,1-3H3
InChIKeyQSPDGRPKSCQIPI-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.41
Rot. Bonds

About 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine

2,4,6-trimethylbicyclo[3.2.1]octan-1-amine (PubChem CID 123170576) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine.

Molecular Properties

Compound Name2,4,6-trimethylbicyclo[3.2.1]octan-1-amine
PubChem CID123170576
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2,4,6-trimethylbicyclo[3.2.1]octan-1-amine
SMILESCC1CC(C)C2(N)CC(C)C1C2
InChIInChI=1S/C11H21N/c1-7-4-9(3)11(12)5-8(2)10(7)6-11/h7-10H,4-6,12H2,1-3H3
InChIKeyQSPDGRPKSCQIPI-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine?
The IUPAC name of 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine (CID 123170576) is 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine.
What is the SMILES notation for 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine?
The canonical SMILES for 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine is CC1CC(C)C2(N)CC(C)C1C2.
What is the InChIKey of 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine?
The InChIKey is QSPDGRPKSCQIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-7-4-9(3)11(12)5-8(2)10(7)6-11/h7-10H,4-6,12H2,1-3H3.
What are the key properties of 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine?
2,4,6-trimethylbicyclo[3.2.1]octan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylbicyclo[3.2.1]octan-1-amine is sourced from PubChem (CID 123170576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).