N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine

C12H24BrNO — CID 81062701

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)CC1(CBr)CCCC1
InChIInChI=1S/C12H24BrNO/c1-3-15-9-8-14(2)11-12(10-13)6-4-5-7-12/h3-11H2,1-2H3
InChIKeyTWUIZGVRJQOTST-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.91
Rot. Bonds7

About N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine (PubChem CID 81062701) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
PubChem CID81062701
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)CC1(CBr)CCCC1
InChIInChI=1S/C12H24BrNO/c1-3-15-9-8-14(2)11-12(10-13)6-4-5-7-12/h3-11H2,1-2H3
InChIKeyTWUIZGVRJQOTST-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
CID 81074314
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81062152
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-1-amine
CID 65003333
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
CID 65009568
N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65002615
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65009044
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
2-ethoxy-N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 81074952
[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
CID 82941164
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
2-[2-[[1-(hydroxymethyl)cyclohexyl]methyl-methylamino]ethoxy]ethanol
CID 114243666

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine (CID 81062701) is N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine is CCOCCN(C)CC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine?
The InChIKey is TWUIZGVRJQOTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-3-15-9-8-14(2)11-12(10-13)6-4-5-7-12/h3-11H2,1-2H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine?
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine has a molecular weight of 278.23 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 81062701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).