8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H24ClNO — CID 63770297

IUPAC8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCCCCCCl
InChIInChI=1S/C13H24ClNO/c14-7-3-1-2-4-8-15-11-5-6-12(15)10-13(16)9-11/h11-13,16H,1-10H2
InChIKeyFOSSUZMUTRCNLT-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.77
Rot. Bonds6

About 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63770297) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63770297
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CCCCCCCl
InChIInChI=1S/C13H24ClNO/c14-7-3-1-2-4-8-15-11-5-6-12(15)10-13(16)9-11/h11-13,16H,1-10H2
InChIKeyFOSSUZMUTRCNLT-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63770297) is 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CCCCCCCl.
What is the InChIKey of 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FOSSUZMUTRCNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-7-3-1-2-4-8-15-11-5-6-12(15)10-13(16)9-11/h11-13,16H,1-10H2.
What are the key properties of 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 245.79 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chlorohexyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63770297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).