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

C14H25NO — CID 68675499

IUPAC(1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane
SMILESC1CCC(COC2C[C@H]3CC[C@@H](C2)N3)CC1
InChIInChI=1S/C14H25NO/c1-2-4-11(5-3-1)10-16-14-8-12-6-7-13(9-14)15-12/h11-15H,1-10H2/t12-,13+,14?
InChIKeyBOKHMWMMHNYSCF-PBWFPOADSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds3

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

(1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 68675499) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane
PubChem CID68675499
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane
SMILESC1CCC(COC2C[C@H]3CC[C@@H](C2)N3)CC1
InChIInChI=1S/C14H25NO/c1-2-4-11(5-3-1)10-16-14-8-12-6-7-13(9-14)15-12/h11-15H,1-10H2/t12-,13+,14?
InChIKeyBOKHMWMMHNYSCF-PBWFPOADSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane (CID 68675499) is (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane is C1CCC(COC2C[C@H]3CC[C@@H](C2)N3)CC1.
What is the InChIKey of (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is BOKHMWMMHNYSCF-PBWFPOADSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-4-11(5-3-1)10-16-14-8-12-6-7-13(9-14)15-12/h11-15H,1-10H2/t12-,13+,14?.
What are the key properties of (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 223.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 68675499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).