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

C14H19N — CID 67134573

IUPAC(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
SMILESc1ccc(CN2[C@@H]3CCC[C@H]2CC3)cc1
InChIInChI=1S/C14H19N/c1-2-5-12(6-3-1)11-15-13-7-4-8-14(15)10-9-13/h1-3,5-6,13-14H,4,7-11H2/t13-,14+
InChIKeyMVSNFUWCTULLSI-OKILXGFUSA-N
MW201.31 g/mol
LogP3.20
Rot. Bonds2

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

(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane (PubChem CID 67134573) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
PubChem CID67134573
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
SMILESc1ccc(CN2[C@@H]3CCC[C@H]2CC3)cc1
InChIInChI=1S/C14H19N/c1-2-5-12(6-3-1)11-15-13-7-4-8-14(15)10-9-13/h1-3,5-6,13-14H,4,7-11H2/t13-,14+
InChIKeyMVSNFUWCTULLSI-OKILXGFUSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,6R)-10-benzyl-3,10-diazabicyclo[4.3.1]decane
CID 98049755
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
CID 11859694
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonitrile
CID 15639095
9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbaldehyde
CID 171936331
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
(1R,6S)-9-benzyl-3,9-diazabicyclo[4.2.1]nonane
CID 51893403
(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
CID 139445237

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane (CID 67134573) is (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane is c1ccc(CN2[C@@H]3CCC[C@H]2CC3)cc1.
What is the InChIKey of (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane?
The InChIKey is MVSNFUWCTULLSI-OKILXGFUSA-N. The full InChI is InChI=1S/C14H19N/c1-2-5-12(6-3-1)11-15-13-7-4-8-14(15)10-9-13/h1-3,5-6,13-14H,4,7-11H2/t13-,14+.
What are the key properties of (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane has a molecular weight of 201.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67134573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).