2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

C11H20BrNO — CID 102900965

IUPAC2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESBrCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H20BrNO/c12-7-8-13-9-10-3-6-11(14-10)4-1-2-5-11/h10,13H,1-9H2
InChIKeyAKWPFTAGWXYWQX-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.46
Rot. Bonds4

About 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine

2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (PubChem CID 102900965) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
PubChem CID102900965
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
SMILESBrCCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C11H20BrNO/c12-7-8-13-9-10-3-6-11(14-10)4-1-2-5-11/h10,13H,1-9H2
InChIKeyAKWPFTAGWXYWQX-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
2-cyclopentyloxy-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897294
3-methylsulfanyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897314
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
CID 102897807
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The IUPAC name of 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine (CID 102900965) is 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is BrCCNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
The InChIKey is AKWPFTAGWXYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c12-7-8-13-9-10-3-6-11(14-10)4-1-2-5-11/h10,13H,1-9H2.
What are the key properties of 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine?
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine has a molecular weight of 262.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine is sourced from PubChem (CID 102900965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).