N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

C12H21F3N2 — CID 61231184

IUPACN-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CC(F)(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C12H21F3N2/c1-2-5-17(8-12(13,14)15)11-6-9-3-4-10(7-11)16-9/h9-11,16H,2-8H2,1H3
InChIKeyBRNWZGLNUBNWEL-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.54
Rot. Bonds4

About N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231184) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231184
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CC(F)(F)F)C1CC2CCC(C1)N2
InChIInChI=1S/C12H21F3N2/c1-2-5-17(8-12(13,14)15)11-6-9-3-4-10(7-11)16-9/h9-11,16H,2-8H2,1H3
InChIKeyBRNWZGLNUBNWEL-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61231184) is N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine is CCCN(CC(F)(F)F)C1CC2CCC(C1)N2.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BRNWZGLNUBNWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-2-5-17(8-12(13,14)15)11-6-9-3-4-10(7-11)16-9/h9-11,16H,2-8H2,1H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).