3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine

C11H18F3N — CID 158004229

IUPAC3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine
SMILESCC1CC2CCCC(C2)C1(N)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-7-5-8-3-2-4-9(6-8)10(7,15)11(12,13)14/h7-9H,2-6,15H2,1H3
InChIKeyFECBPNJAEZPROB-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.09
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine

3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine (PubChem CID 158004229) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine
PubChem CID158004229
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine
SMILESCC1CC2CCCC(C2)C1(N)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-7-5-8-3-2-4-9(6-8)10(7,15)11(12,13)14/h7-9H,2-6,15H2,1H3
InChIKeyFECBPNJAEZPROB-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine?
The IUPAC name of 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine (CID 158004229) is 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine is CC1CC2CCCC(C2)C1(N)C(F)(F)F.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine?
The InChIKey is FECBPNJAEZPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-7-5-8-3-2-4-9(6-8)10(7,15)11(12,13)14/h7-9H,2-6,15H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine?
3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine has a molecular weight of 221.27 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)bicyclo[3.3.1]nonan-2-amine is sourced from PubChem (CID 158004229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).