3,3-dimethylbicyclo[2.2.2]octan-2-amine

C10H19N — CID 14589652

IUPAC3,3-dimethylbicyclo[2.2.2]octan-2-amine
SMILESCC1(C)C2CCC(CC2)C1N
InChIInChI=1S/C10H19N/c1-10(2)8-5-3-7(4-6-8)9(10)11/h7-9H,3-6,11H2,1-2H3
InChIKeyCOOUQDHMYGTOMS-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.16
Rot. Bonds

About 3,3-dimethylbicyclo[2.2.2]octan-2-amine

3,3-dimethylbicyclo[2.2.2]octan-2-amine (PubChem CID 14589652) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,3-dimethylbicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound Name3,3-dimethylbicyclo[2.2.2]octan-2-amine
PubChem CID14589652
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,3-dimethylbicyclo[2.2.2]octan-2-amine
SMILESCC1(C)C2CCC(CC2)C1N
InChIInChI=1S/C10H19N/c1-10(2)8-5-3-7(4-6-8)9(10)11/h7-9H,3-6,11H2,1-2H3
InChIKeyCOOUQDHMYGTOMS-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbicyclo[2.2.2]octan-2-amine?
The IUPAC name of 3,3-dimethylbicyclo[2.2.2]octan-2-amine (CID 14589652) is 3,3-dimethylbicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for 3,3-dimethylbicyclo[2.2.2]octan-2-amine?
The canonical SMILES for 3,3-dimethylbicyclo[2.2.2]octan-2-amine is CC1(C)C2CCC(CC2)C1N.
What is the InChIKey of 3,3-dimethylbicyclo[2.2.2]octan-2-amine?
The InChIKey is COOUQDHMYGTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-10(2)8-5-3-7(4-6-8)9(10)11/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 3,3-dimethylbicyclo[2.2.2]octan-2-amine?
3,3-dimethylbicyclo[2.2.2]octan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 14589652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).