(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane

C14H19N — CID 99645713

IUPAC(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane
SMILESc1ccc(CC2C[C@@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C14H19N/c1-2-4-11(5-3-1)8-12-9-13-6-7-14(10-12)15-13/h1-5,12-15H,6-10H2/t13-,14-/m0/s1
InChIKeyXEAIOOIYKSSSPU-KBPBESRZSA-N
MW201.31 g/mol
LogP2.76
Rot. Bonds2

About (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane

(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane (PubChem CID 99645713) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane
PubChem CID99645713
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane
SMILESc1ccc(CC2C[C@@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C14H19N/c1-2-4-11(5-3-1)8-12-9-13-6-7-14(10-12)15-13/h1-5,12-15H,6-10H2/t13-,14-/m0/s1
InChIKeyXEAIOOIYKSSSPU-KBPBESRZSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 22287007
5-benzyldiazepane
CID 154443129
1,3-dibenzylcyclooctane
CID 3045388
cyclopropylmethylbenzene;ethane;methane
CID 142248267
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-benzylpropan-2-amine
CID 79611594
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
CID 79609378
3-benzylazetidine;hydrochloride
CID 54592835
(2R,4R)-2,4-dibenzylpiperidine
CID 101092769
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
5-benzyl-2-azabicyclo[2.2.2]octane
CID 18388615
4-benzylphosphinane
CID 130251660

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane (CID 99645713) is (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane is c1ccc(CC2C[C@@H]3CC[C@@H](C2)N3)cc1.
What is the InChIKey of (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane?
The InChIKey is XEAIOOIYKSSSPU-KBPBESRZSA-N. The full InChI is InChI=1S/C14H19N/c1-2-4-11(5-3-1)8-12-9-13-6-7-14(10-12)15-13/h1-5,12-15H,6-10H2/t13-,14-/m0/s1.
What are the key properties of (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane?
(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane has a molecular weight of 201.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 99645713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).