8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane

C18H26BrN — CID 65015412

IUPAC8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane
SMILESBrCC(CN1CCC2(CCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H26BrN/c19-14-17(16-6-2-1-3-7-16)15-20-12-10-18(11-13-20)8-4-5-9-18/h1-3,6-7,17H,4-5,8-15H2
InChIKeyJNSDZTKOAWZHSB-UHFFFAOYSA-N
MW336.32 g/mol
LogP4.82
Rot. Bonds4

About 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane

8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane (PubChem CID 65015412) has the molecular formula C18H26BrN and a molecular weight of 336.32 g/mol. Its IUPAC name is 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane
PubChem CID65015412
Molecular FormulaC18H26BrN
Molecular Weight336.32 g/mol
Exact Mass335.12
IUPAC Name8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane
SMILESBrCC(CN1CCC2(CCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H26BrN/c19-14-17(16-6-2-1-3-7-16)15-20-12-10-18(11-13-20)8-4-5-9-18/h1-3,6-7,17H,4-5,8-15H2
InChIKeyJNSDZTKOAWZHSB-UHFFFAOYSA-N
XLogP4.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 54.82
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

3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-1-phenylpropan-1-amine
CID 63159871
1-(3-bromo-2-phenylpropyl)-2,2-dimethylpyrrolidine
CID 65015121
[1-(3-bromo-2-phenylpropyl)piperidin-4-yl]methanol
CID 65016137
1-(8-azaspiro[4.5]decan-8-yl)-3-phenylpropan-2-amine
CID 63161076
3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 65014536
3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
CID 64994761
4-(3-bromo-2-phenylpropyl)-3,3-dimethylmorpholine
CID 65016564
1-(3-bromo-2-phenylpropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750262
1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione
CID 65014543
2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
CID 82979925
4-(3-bromo-2-phenylpropyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 65015547
2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol
CID 63159565

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane?
The IUPAC name of 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane (CID 65015412) is 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane is BrCC(CN1CCC2(CCCC2)CC1)c1ccccc1.
What is the InChIKey of 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane?
The InChIKey is JNSDZTKOAWZHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN/c19-14-17(16-6-2-1-3-7-16)15-20-12-10-18(11-13-20)8-4-5-9-18/h1-3,6-7,17H,4-5,8-15H2.
What are the key properties of 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane?
8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane has a molecular weight of 336.32 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane is sourced from PubChem (CID 65015412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).