3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane

C14H26BrN — CID 64994761

IUPAC3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
SMILESCC(CBr)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H26BrN/c1-13(11-15)12-16-9-7-14(8-10-16)5-3-2-4-6-14/h13H,2-12H2,1H3
InChIKeyHKWSWZCUKCCGTO-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.06
Rot. Bonds3

About 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane

3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane (PubChem CID 64994761) has the molecular formula C14H26BrN and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
PubChem CID64994761
Molecular FormulaC14H26BrN
Molecular Weight288.27 g/mol
Exact Mass287.12
IUPAC Name3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
SMILESCC(CBr)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H26BrN/c1-13(11-15)12-16-9-7-14(8-10-16)5-3-2-4-6-14/h13H,2-12H2,1H3
InChIKeyHKWSWZCUKCCGTO-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.06
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

1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
4-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 80544143
1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine
CID 55156311
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
3-(3-azaspiro[5.5]undecan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 62931463
1-(8-azaspiro[4.5]decan-8-yl)butan-2-amine
CID 63160833
1-(3-azaspiro[5.5]undecan-3-yl)pentan-2-amine
CID 62938096
8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane
CID 65015412
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
CID 170250361
(2S)-1-(2-azaspiro[4.5]decan-2-yl)propan-2-amine
CID 130516410
1-(8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 63987208
(2R)-1-(6-azaspiro[2.5]octan-6-yl)propan-2-amine
CID 122669555

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane?
The IUPAC name of 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane (CID 64994761) is 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane.
What is the SMILES notation for 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane?
The canonical SMILES for 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane is CC(CBr)CN1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane?
The InChIKey is HKWSWZCUKCCGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN/c1-13(11-15)12-16-9-7-14(8-10-16)5-3-2-4-6-14/h13H,2-12H2,1H3.
What are the key properties of 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane?
3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane has a molecular weight of 288.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane is sourced from PubChem (CID 64994761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).