5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol

C10H18BrNO — CID 130693734

IUPAC5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol
SMILESCC(CBr)CN1CC(O)C2(CC2)C1
InChIInChI=1S/C10H18BrNO/c1-8(4-11)5-12-6-9(13)10(7-12)2-3-10/h8-9,13H,2-7H2,1H3
InChIKeyGVQZGTRHNDQLJV-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.47
Rot. Bonds3

About 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol

5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol (PubChem CID 130693734) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol
PubChem CID130693734
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol
SMILESCC(CBr)CN1CC(O)C2(CC2)C1
InChIInChI=1S/C10H18BrNO/c1-8(4-11)5-12-6-9(13)10(7-12)2-3-10/h8-9,13H,2-7H2,1H3
InChIKeyGVQZGTRHNDQLJV-UHFFFAOYSA-N
XLogP1.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-azaspiro[2.4]heptan-7-ol
CID 59200734
5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol
CID 131232063
3-(3-bromo-2-methylpropyl)-3-azaspiro[5.5]undecane
CID 64994761
1-(3-bromo-2-methylpropyl)piperidine;hydrobromide
CID 139026359
5-[(3-methylpyrrolidin-3-yl)methyl]-5-azaspiro[2.4]heptan-7-ol;hydrochloride
CID 120903601
5-benzyl-5-azaspiro[2.4]heptan-7-ol
CID 58452923
1-[4-(3-bromo-2-methylpropyl)piperazin-1-yl]ethanone
CID 64996028
1-(3-chloro-2-methylpropyl)azetidin-3-ol
CID 131137639
1-(3-bromo-2-methylpropyl)-N,N-diethylpyrrolidin-3-amine
CID 64995050
5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol
CID 131176139
4-(3-bromo-2-methylpropyl)-1,4-thiazinane 1-oxide
CID 64996346
(8S)-6-[(2S)-3-amino-2-hydroxypropyl]-6-azaspiro[2.5]octan-8-ol
CID 67080079

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol (CID 130693734) is 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol is CC(CBr)CN1CC(O)C2(CC2)C1.
What is the InChIKey of 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is GVQZGTRHNDQLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(4-11)5-12-6-9(13)10(7-12)2-3-10/h8-9,13H,2-7H2,1H3.
What are the key properties of 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol?
5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 248.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-methylpropyl)-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 130693734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).