6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane

C15H20BrN — CID 71650612

IUPAC6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane
SMILESBrCC1CC2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C15H20BrN/c16-10-14-8-15(9-14)6-7-17(12-15)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyDXSVUFGTZRCBRB-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.68
Rot. Bonds3

About 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane

6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane (PubChem CID 71650612) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane
PubChem CID71650612
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane
SMILESBrCC1CC2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C15H20BrN/c16-10-14-8-15(9-14)6-7-17(12-15)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyDXSVUFGTZRCBRB-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
CID 98089072
2-benzyl-8-(chloromethyl)-2-azaspiro[4.5]decane
CID 71646570
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819
2-benzyl-2,8-diazaspiro[4.5]decane-8-sulfonamide
CID 136518555
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane?
The IUPAC name of 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane (CID 71650612) is 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane?
The canonical SMILES for 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane is BrCC1CC2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane?
The InChIKey is DXSVUFGTZRCBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-10-14-8-15(9-14)6-7-17(12-15)11-13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane?
6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane has a molecular weight of 294.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(bromomethyl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 71650612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).