(1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane

C14H19NO — CID 90680660

IUPAC(1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane
SMILESC[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H](C1)O2
InChIInChI=1S/C14H19NO/c1-11-7-13-10-15(14(8-11)16-13)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyCYUXDKXNHPDLKC-YUTCNCBUSA-N
MW217.31 g/mol
LogP2.64
Rot. Bonds2

About (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane

(1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane (PubChem CID 90680660) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane
PubChem CID90680660
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane
SMILESC[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H](C1)O2
InChIInChI=1S/C14H19NO/c1-11-7-13-10-15(14(8-11)16-13)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14-/m0/s1
InChIKeyCYUXDKXNHPDLKC-YUTCNCBUSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane (CID 90680660) is (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane is C[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H](C1)O2.
What is the InChIKey of (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane?
The InChIKey is CYUXDKXNHPDLKC-YUTCNCBUSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-7-13-10-15(14(8-11)16-13)9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3/t11-,13+,14-/m0/s1.
What are the key properties of (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane?
(1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane has a molecular weight of 217.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-6-benzyl-3-methyl-8-oxa-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 90680660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).