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

C14H26ClNO — CID 68675498

IUPAC(1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1CCC(COC2C[C@H]3CC[C@@H](C2)N3)CC1.Cl
InChIInChI=1S/C14H25NO.ClH/c1-2-4-11(5-3-1)10-16-14-8-12-6-7-13(9-14)15-12;/h11-15H,1-10H2;1H/t12-,13+,14?;
InChIKeyUFZFQFGGLFLDHV-LIWIJTDLSA-N
MW259.82 g/mol
LogP3.29
Rot. Bonds3

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

(1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 68675498) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID68675498
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name(1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1CCC(COC2C[C@H]3CC[C@@H](C2)N3)CC1.Cl
InChIInChI=1S/C14H25NO.ClH/c1-2-4-11(5-3-1)10-16-14-8-12-6-7-13(9-14)15-12;/h11-15H,1-10H2;1H/t12-,13+,14?;
InChIKeyUFZFQFGGLFLDHV-LIWIJTDLSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride (CID 68675498) is (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride is C1CCC(COC2C[C@H]3CC[C@@H](C2)N3)CC1.Cl.
What is the InChIKey of (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is UFZFQFGGLFLDHV-LIWIJTDLSA-N. The full InChI is InChI=1S/C14H25NO.ClH/c1-2-4-11(5-3-1)10-16-14-8-12-6-7-13(9-14)15-12;/h11-15H,1-10H2;1H/t12-,13+,14?;.
What are the key properties of (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride?
(1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 259.82 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(cyclohexylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 68675498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).