N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine

C12H24BrNO3 — CID 104567253

IUPACN-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
SMILESCOCCOCCOCCN(CCBr)C1CC1
InChIInChI=1S/C12H24BrNO3/c1-15-8-9-17-11-10-16-7-6-14(5-4-13)12-2-3-12/h12H,2-11H2,1H3
InChIKeyMQNLIJPNZCHXIV-UHFFFAOYSA-N
MW310.23 g/mol
LogP1.53
Rot. Bonds12

About N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine

N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine (PubChem CID 104567253) has the molecular formula C12H24BrNO3 and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
PubChem CID104567253
Molecular FormulaC12H24BrNO3
Molecular Weight310.23 g/mol
Exact Mass309.09
IUPAC NameN-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
SMILESCOCCOCCOCCN(CCBr)C1CC1
InChIInChI=1S/C12H24BrNO3/c1-15-8-9-17-11-10-16-7-6-14(5-4-13)12-2-3-12/h12H,2-11H2,1H3
InChIKeyMQNLIJPNZCHXIV-UHFFFAOYSA-N
XLogP1.53
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 51.53
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-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine 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-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
CID 104567265
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
CID 103413097
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N'-cyclopentyl-N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 104561146
2-[cyclohexyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 104566071
N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
CID 64996287
N-[2-(2-methoxyethoxy)ethyl]-N-propylazetidin-3-amine
CID 66215881
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 114263721

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine (CID 104567253) is N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine is COCCOCCOCCN(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine?
The InChIKey is MQNLIJPNZCHXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO3/c1-15-8-9-17-11-10-16-7-6-14(5-4-13)12-2-3-12/h12H,2-11H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine?
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine has a molecular weight of 310.23 g/mol, XLogP of 1.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine is sourced from PubChem (CID 104567253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).