(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine

C15H21N — CID 167446481

IUPAC(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine
SMILESNC1C[C@H]2CC[C@@H](C1)C2Cc1ccccc1
InChIInChI=1S/C15H21N/c16-14-9-12-6-7-13(10-14)15(12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10,16H2/t12-,13+,14?,15?
InChIKeyYMJZKVXJGLUHBT-DGKWVBSXSA-N
MW215.34 g/mol
LogP2.99
Rot. Bonds2

About (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine

(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine (PubChem CID 167446481) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine
PubChem CID167446481
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine
SMILESNC1C[C@H]2CC[C@@H](C1)C2Cc1ccccc1
InChIInChI=1S/C15H21N/c16-14-9-12-6-7-13(10-14)15(12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10,16H2/t12-,13+,14?,15?
InChIKeyYMJZKVXJGLUHBT-DGKWVBSXSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244
(3R)-3-benzylcyclohexan-1-amine
CID 168960646
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473
1,3-dibenzylcyclooctane
CID 3045388
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
cyclopropylmethylbenzene;ethane;methane
CID 142248267
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
(1R,5S)-8-benzyl-3-cyclopenta-1,3-dien-1-yl-3-azabicyclo[3.2.1]octane
CID 58019049
6-benzylspiro[3.3]heptan-2-amine
CID 164574209
CID 162338619
CID 162338619
cyclopentylmethylbenzene;formamide
CID 174870384
(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane
CID 99645713

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine (CID 167446481) is (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine is NC1C[C@H]2CC[C@@H](C1)C2Cc1ccccc1.
What is the InChIKey of (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine?
The InChIKey is YMJZKVXJGLUHBT-DGKWVBSXSA-N. The full InChI is InChI=1S/C15H21N/c16-14-9-12-6-7-13(10-14)15(12)8-11-4-2-1-3-5-11/h1-5,12-15H,6-10,16H2/t12-,13+,14?,15?.
What are the key properties of (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine?
(1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-benzylbicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 167446481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).