N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine

C13H26BrNO — CID 65001818

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)CC1(CBr)CCCCC1
InChIInChI=1S/C13H26BrNO/c1-3-15(9-10-16-2)12-13(11-14)7-5-4-6-8-13/h3-12H2,1-2H3
InChIKeyWUSKRBROYVMOCY-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.30
Rot. Bonds7

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine (PubChem CID 65001818) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine
PubChem CID65001818
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)CC1(CBr)CCCCC1
InChIInChI=1S/C13H26BrNO/c1-3-15(9-10-16-2)12-13(11-14)7-5-4-6-8-13/h3-12H2,1-2H3
InChIKeyWUSKRBROYVMOCY-UHFFFAOYSA-N
XLogP3.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine (CID 65001818) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)CC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is WUSKRBROYVMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-3-15(9-10-16-2)12-13(11-14)7-5-4-6-8-13/h3-12H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 292.26 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 65001818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).