8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H26BrNO — CID 65006543

IUPAC8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC1(CBr)CCCCC1
InChIInChI=1S/C15H26BrNO/c16-10-15(6-2-1-3-7-15)11-17-12-4-5-13(17)9-14(18)8-12/h12-14,18H,1-11H2
InChIKeyDOEVUCOAIQNOBW-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.32
Rot. Bonds3

About 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65006543) has the molecular formula C15H26BrNO and a molecular weight of 316.28 g/mol. Its IUPAC name is 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65006543
Molecular FormulaC15H26BrNO
Molecular Weight316.28 g/mol
Exact Mass315.12
IUPAC Name8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC1(CBr)CCCCC1
InChIInChI=1S/C15H26BrNO/c16-10-15(6-2-1-3-7-15)11-17-12-4-5-13(17)9-14(18)8-12/h12-14,18H,1-11H2
InChIKeyDOEVUCOAIQNOBW-UHFFFAOYSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 65006543) is 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CC1(CBr)CCCCC1.
What is the InChIKey of 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DOEVUCOAIQNOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO/c16-10-15(6-2-1-3-7-15)11-17-12-4-5-13(17)9-14(18)8-12/h12-14,18H,1-11H2.
What are the key properties of 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 316.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65006543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).