N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine

C13H26BrNO3 — CID 104567293

IUPACN-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine
SMILESCOCCOCCOCCN(C)CC1CC(Br)C1
InChIInChI=1S/C13H26BrNO3/c1-15(11-12-9-13(14)10-12)3-4-17-7-8-18-6-5-16-2/h12-13H,3-11H2,1-2H3
InChIKeyAHFVRVKSHBVTPJ-UHFFFAOYSA-N
MW324.26 g/mol
LogP1.77
Rot. Bonds11

About N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine

N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine (PubChem CID 104567293) has the molecular formula C13H26BrNO3 and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine
PubChem CID104567293
Molecular FormulaC13H26BrNO3
Molecular Weight324.26 g/mol
Exact Mass323.11
IUPAC NameN-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine
SMILESCOCCOCCOCCN(C)CC1CC(Br)C1
InChIInChI=1S/C13H26BrNO3/c1-15(11-12-9-13(14)10-12)3-4-17-7-8-18-6-5-16-2/h12-13H,3-11H2,1-2H3
InChIKeyAHFVRVKSHBVTPJ-UHFFFAOYSA-N
XLogP1.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)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

2-(2-methoxyethoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636684
N-[(3-bromocyclobutyl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 80690221
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-methylethane-1,2-diamine
CID 104561076
2-methoxy-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 62371781
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 114263721
1-bromo-3-[3-(2-methoxyethoxy)propyl]cycloheptane
CID 103413859
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104567253
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[2-(2-methoxyethoxy)ethoxy]-N-[2-(2-methoxyethoxy)ethoxymethyl]-N-methylmethanamine
CID 87642085

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine (CID 104567293) is N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine is COCCOCCOCCN(C)CC1CC(Br)C1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine?
The InChIKey is AHFVRVKSHBVTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO3/c1-15(11-12-9-13(14)10-12)3-4-17-7-8-18-6-5-16-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine?
N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine has a molecular weight of 324.26 g/mol, XLogP of 1.77, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]-N-methylethanamine is sourced from PubChem (CID 104567293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).