3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine

C12H20F3N — CID 138700004

IUPAC3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine
SMILESCCC1(N)CC2(F)CC(C)(F)CC(F)(C1)C2
InChIInChI=1S/C12H20F3N/c1-3-12(16)7-10(14)4-9(2,13)5-11(15,6-10)8-12/h3-8,16H2,1-2H3
InChIKeyYFLHKHXYTNIJIP-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.22
Rot. Bonds1

About 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine

3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine (PubChem CID 138700004) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine
PubChem CID138700004
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine
SMILESCCC1(N)CC2(F)CC(C)(F)CC(F)(C1)C2
InChIInChI=1S/C12H20F3N/c1-3-12(16)7-10(14)4-9(2,13)5-11(15,6-10)8-12/h3-8,16H2,1-2H3
InChIKeyYFLHKHXYTNIJIP-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo[3.3.1]nonanamine
CID 4522268
3-methyl-N-(trifluoromethylsulfanyl)bicyclo[3.3.1]nonan-3-amine
CID 129294880
3-(2-Fluoroethyl)-3-methylbicyclo[3.3.1]nonan-1-amine
CID 130252732
3-Ethyl-7-methyl-1-(trifluoromethyl)bicyclo[3.3.1]nonan-3-amine
CID 130451405
[3-(2-Fluoroethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl]azanium
CID 147749316
9,9-Difluoro-3-methylbicyclo[3.3.1]nonan-3-amine
CID 163767042
1,5,7-Trifluoro-3,7-dimethylbicyclo[3.3.1]nonan-3-amine
CID 168895764
3-ethyl-1,5,7-trifluoro-N,7-dimethylbicyclo[3.3.1]nonan-3-amine
CID 169875488
3-(4-Fluorobutyl)bicyclo[3.3.1]nonan-3-amine
CID 170140638
Bicyclo[3.3.1]nonan-1-amine hydrochloride
CID 12377360
3-Ethyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 64258081
1-Cyclohexyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64756974

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine (CID 138700004) is 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine is CCC1(N)CC2(F)CC(C)(F)CC(F)(C1)C2.
What is the InChIKey of 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine?
The InChIKey is YFLHKHXYTNIJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-3-12(16)7-10(14)4-9(2,13)5-11(15,6-10)8-12/h3-8,16H2,1-2H3.
What are the key properties of 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine?
3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine has a molecular weight of 235.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5,7-trifluoro-7-methylbicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 138700004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).