2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine

C11H21BrN2 — CID 97168987

IUPAC2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
SMILESNCCN1CC[C@]2(CC[C@@H](CBr)C2)C1
InChIInChI=1S/C11H21BrN2/c12-8-10-1-2-11(7-10)3-5-14(9-11)6-4-13/h10H,1-9,13H2/t10-,11+/m1/s1
InChIKeyGQXIEOFHMDDEKP-MNOVXSKESA-N
MW261.21 g/mol
LogP1.83
Rot. Bonds3

About 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine

2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine (PubChem CID 97168987) has the molecular formula C11H21BrN2 and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
PubChem CID97168987
Molecular FormulaC11H21BrN2
Molecular Weight261.21 g/mol
Exact Mass260.09
IUPAC Name2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
SMILESNCCN1CC[C@]2(CC[C@@H](CBr)C2)C1
InChIInChI=1S/C11H21BrN2/c12-8-10-1-2-11(7-10)3-5-14(9-11)6-4-13/h10H,1-9,13H2/t10-,11+/m1/s1
InChIKeyGQXIEOFHMDDEKP-MNOVXSKESA-N
XLogP1.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.83
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

2-[(5S,8R)-8-(aminomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine
CID 97168990
(5S,8S)-2-(2-aminoethyl)-2-azaspiro[4.4]nonan-8-amine
CID 129426141
(5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 98083969
2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol
CID 97169857
2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane
CID 71635297
2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol
CID 98089074
[2-(2-chloroethyl)-2-azaspiro[4.5]decan-8-yl]methanamine
CID 71649167
(2S)-2-amino-1-[(5S,8S)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]propan-1-one
CID 129373046
8-(bromomethyl)-2-methyl-2-azaspiro[4.5]decane
CID 71647915
2-[2-(aminomethyl)-6-azaspiro[3.4]octan-6-yl]ethanol
CID 71649151
2-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 128922534
(5S,8R)-2-ethyl-2-azaspiro[4.4]nonan-8-amine
CID 98084994

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine?
The IUPAC name of 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine (CID 97168987) is 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine.
What is the SMILES notation for 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine?
The canonical SMILES for 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine is NCCN1CC[C@]2(CC[C@@H](CBr)C2)C1.
What is the InChIKey of 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine?
The InChIKey is GQXIEOFHMDDEKP-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21BrN2/c12-8-10-1-2-11(7-10)3-5-14(9-11)6-4-13/h10H,1-9,13H2/t10-,11+/m1/s1.
What are the key properties of 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine?
2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine has a molecular weight of 261.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,8R)-8-(bromomethyl)-2-azaspiro[4.4]nonan-2-yl]ethanamine is sourced from PubChem (CID 97168987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).