2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

C13H24BrNO — CID 102900869

IUPAC2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCN(CCBr)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H24BrNO/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-11H2,1H3
InChIKeyIPHHXUVXNPRMFN-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.19
Rot. Bonds4

About 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine

2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (PubChem CID 102900869) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
PubChem CID102900869
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
SMILESCN(CCBr)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H24BrNO/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-11H2,1H3
InChIKeyIPHHXUVXNPRMFN-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102898474
N-(3-bromopropyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutanamine
CID 102900988
3-methoxy-1-N-methyl-1-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102900998
N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 106637126
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
1-cyclopropyl-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
CID 102899508
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487849
2-[cyclopropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848057
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896446
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propylazetidin-3-amine
CID 102899443
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The IUPAC name of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine (CID 102900869) is 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is CN(CCBr)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
The InChIKey is IPHHXUVXNPRMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-11H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine?
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine has a molecular weight of 290.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102900869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).