(1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine

C10H17F3N2 — CID 129246962

IUPAC(1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESFC(F)(F)CCNC1[C@@H]2CC[C@@H]1CNC2
InChIInChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-9-7-1-2-8(9)6-14-5-7/h7-9,14-15H,1-6H2/t7-,8-/m1/s1
InChIKeyIIKUUIXFKHQCQX-HTQZYQBOSA-N
MW222.25 g/mol
LogP1.53
Rot. Bonds3

About (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine

(1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 129246962) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID129246962
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name(1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESFC(F)(F)CCNC1[C@@H]2CC[C@@H]1CNC2
InChIInChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-9-7-1-2-8(9)6-14-5-7/h7-9,14-15H,1-6H2/t7-,8-/m1/s1
InChIKeyIIKUUIXFKHQCQX-HTQZYQBOSA-N
XLogP1.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine (CID 129246962) is (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine is FC(F)(F)CCNC1[C@@H]2CC[C@@H]1CNC2.
What is the InChIKey of (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is IIKUUIXFKHQCQX-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17F3N2/c11-10(12,13)3-4-15-9-7-1-2-8(9)6-14-5-7/h7-9,14-15H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
(1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 222.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 129246962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).