(5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane

C12H22BrN — CID 98083969

IUPAC(5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane
SMILESCC(C)N1CC[C@]2(CC[C@@H](CBr)C2)C1
InChIInChI=1S/C12H22BrN/c1-10(2)14-6-5-12(9-14)4-3-11(7-12)8-13/h10-11H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeySNWBPNGSQLARSR-NEPJUHHUSA-N
MW260.22 g/mol
LogP3.28
Rot. Bonds2

About (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane

(5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane (PubChem CID 98083969) has the molecular formula C12H22BrN and a molecular weight of 260.22 g/mol. Its IUPAC name is (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane
PubChem CID98083969
Molecular FormulaC12H22BrN
Molecular Weight260.22 g/mol
Exact Mass259.09
IUPAC Name(5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane
SMILESCC(C)N1CC[C@]2(CC[C@@H](CBr)C2)C1
InChIInChI=1S/C12H22BrN/c1-10(2)14-6-5-12(9-14)4-3-11(7-12)8-13/h10-11H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeySNWBPNGSQLARSR-NEPJUHHUSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.28
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

ethane;8-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 154670982
(2S)-2-amino-1-[(5S,8S)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373046
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
CID 97168987
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane
CID 169289993
2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane
CID 164847437
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane?
The IUPAC name of (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane (CID 98083969) is (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane.
What is the SMILES notation for (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane?
The canonical SMILES for (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane is CC(C)N1CC[C@]2(CC[C@@H](CBr)C2)C1.
What is the InChIKey of (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane?
The InChIKey is SNWBPNGSQLARSR-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H22BrN/c1-10(2)14-6-5-12(9-14)4-3-11(7-12)8-13/h10-11H,3-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane?
(5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane has a molecular weight of 260.22 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 98083969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).