N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid

C16H21F3N2O2 — CID 68843110

IUPACN-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CNC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C14H20N2.C2HF3O2/c1-2-4-11(5-3-1)10-15-14-8-12-6-7-13(9-14)16-12;3-2(4,5)1(6)7/h1-5,12-16H,6-10H2;(H,6,7)
InChIKeyIQFJAIDZPLMAKC-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.69
Rot. Bonds3

About N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid

N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 68843110) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid
PubChem CID68843110
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CNC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C14H20N2.C2HF3O2/c1-2-4-11(5-3-1)10-15-14-8-12-6-7-13(9-14)16-12;3-2(4,5)1(6)7/h1-5,12-16H,6-10H2;(H,6,7)
InChIKeyIQFJAIDZPLMAKC-UHFFFAOYSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
CID 119457922
N-benzyl-2,6-diethylpiperidin-4-amine
CID 174569983
N-benzyl-2,6-dimethylpiperidin-4-amine;tert-butyl carbamate
CID 162005885
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-phenylmethanesulfonamide
CID 61231975
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-benzylacetamide
CID 61230704
5-(benzylamino)piperidine-2-carboxylic acid
CID 175512440
tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146439320
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
benzene;N-benzylcyclohexanamine
CID 142622843
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid (CID 68843110) is N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(CNC2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is IQFJAIDZPLMAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C2HF3O2/c1-2-4-11(5-3-1)10-15-14-8-12-6-7-13(9-14)16-12;3-2(4,5)1(6)7/h1-5,12-16H,6-10H2;(H,6,7).
What are the key properties of N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid?
N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 330.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-azabicyclo[3.2.1]octan-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68843110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).