3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine

C13H22F3N — CID 130451405

IUPAC3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine
SMILESCCC1(N)CC2CC(C)CC(C(F)(F)F)(C2)C1
InChIInChI=1S/C13H22F3N/c1-3-12(17)7-10-4-9(2)5-11(6-10,8-12)13(14,15)16/h9-10H,3-8,17H2,1-2H3
InChIKeyUBMYZIJDAVSZJA-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.87
Rot. Bonds1

About 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine

3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine (PubChem CID 130451405) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine
PubChem CID130451405
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine
SMILESCCC1(N)CC2CC(C)CC(C(F)(F)F)(C2)C1
InChIInChI=1S/C13H22F3N/c1-3-12(17)7-10-4-9(2)5-11(6-10,8-12)13(14,15)16/h9-10H,3-8,17H2,1-2H3
InChIKeyUBMYZIJDAVSZJA-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine (CID 130451405) is 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine is CCC1(N)CC2CC(C)CC(C(F)(F)F)(C2)C1.
What is the InChIKey of 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine?
The InChIKey is UBMYZIJDAVSZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-3-12(17)7-10-4-9(2)5-11(6-10,8-12)13(14,15)16/h9-10H,3-8,17H2,1-2H3.
What are the key properties of 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine?
3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine has a molecular weight of 249.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 130451405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).