2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine

C13H24BrNO — CID 102900851

IUPAC2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
SMILESCC(Br)CN(C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H24BrNO/c1-11(14)9-15(2)10-12-5-8-13(16-12)6-3-4-7-13/h11-12H,3-10H2,1-2H3
InChIKeyOKVNGLMUKZUDDM-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.19
Rot. Bonds4

About 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine

2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine (PubChem CID 102900851) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
PubChem CID102900851
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC Name2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
SMILESCC(Br)CN(C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H24BrNO/c1-11(14)9-15(2)10-12-5-8-13(16-12)6-3-4-7-13/h11-12H,3-10H2,1-2H3
InChIKeyOKVNGLMUKZUDDM-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 ≤ 500290.24
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-(2-bromoethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107487448
N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965337
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 65002741
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 65002843
3-[Methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propanenitrile
CID 102897991
2-[Methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102897996
2-[Ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102897997
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]acetonitrile
CID 102897998
2-[Methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 102900022
2-[Ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 102900025
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(propyl)amino]ethanol
CID 102900028
1-[Methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]propan-2-ol
CID 102900034

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine (CID 102900851) is 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine is CC(Br)CN(C)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The InChIKey is OKVNGLMUKZUDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-11(14)9-15(2)10-12-5-8-13(16-12)6-3-4-7-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine has a molecular weight of 290.24 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[4.4]nonan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 102900851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).