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

C11H19F3N2 — CID 129269514

IUPAC(1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN1C[C@H]2CC[C@@H](C1)C2NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-16-6-8-2-3-9(7-16)10(8)15-5-4-11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10?
InChIKeyQLKMPSAPPNKEIJ-ULKQDVFKSA-N
MW236.28 g/mol
LogP1.87
Rot. Bonds3

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

(1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 129269514) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID129269514
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name(1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
SMILESCN1C[C@H]2CC[C@@H](C1)C2NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-16-6-8-2-3-9(7-16)10(8)15-5-4-11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10?
InChIKeyQLKMPSAPPNKEIJ-ULKQDVFKSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine (CID 129269514) is (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine is CN1C[C@H]2CC[C@@H](C1)C2NCCC(F)(F)F.
What is the InChIKey of (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is QLKMPSAPPNKEIJ-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-16-6-8-2-3-9(7-16)10(8)15-5-4-11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10?.
What are the key properties of (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine?
(1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 236.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methyl-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 129269514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).