8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H26BrNO — CID 65015221

IUPAC8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)C(CBr)CN1C2CCC1CC(O)C2
InChIInChI=1S/C14H26BrNO/c1-14(2,3)10(8-15)9-16-11-4-5-12(16)7-13(17)6-11/h10-13,17H,4-9H2,1-3H3
InChIKeyFDGUMKAPJJDKOJ-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.03
Rot. Bonds3

About 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65015221) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65015221
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)C(CBr)CN1C2CCC1CC(O)C2
InChIInChI=1S/C14H26BrNO/c1-14(2,3)10(8-15)9-16-11-4-5-12(16)7-13(17)6-11/h10-13,17H,4-9H2,1-3H3
InChIKeyFDGUMKAPJJDKOJ-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.03
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-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 65015221) is 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol is CC(C)(C)C(CBr)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FDGUMKAPJJDKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-14(2,3)10(8-15)9-16-11-4-5-12(16)7-13(17)6-11/h10-13,17H,4-9H2,1-3H3.
What are the key properties of 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 304.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(bromomethyl)-3,3-dimethylbutyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).