N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine

C10H20BrNO — CID 64996287

IUPACN-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CC(C)CBr)C1CC1
InChIInChI=1S/C10H20BrNO/c1-9(7-11)8-12(5-6-13-2)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyLYABJHNFPKQMKY-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.13
Rot. Bonds7

About N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine

N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 64996287) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
PubChem CID64996287
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC NameN-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CC(C)CBr)C1CC1
InChIInChI=1S/C10H20BrNO/c1-9(7-11)8-12(5-6-13-2)10-3-4-10/h9-10H,3-8H2,1-2H3
InChIKeyLYABJHNFPKQMKY-UHFFFAOYSA-N
XLogP2.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)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-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine
CID 64995969
N-cyclopropyl-N-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 80544285
N-(2,2-dimethoxyethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 66222965
4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104567253
3-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61451610
3-[cyclopropyl(2-methoxyethyl)amino]-2-methylpropanehydrazide
CID 63583449
2-[cyclopropyl(2-methoxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 60970438
4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
CID 82770599
1-[cyclopropyl(2-methoxyethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317500
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
CID 104567265
3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
CID 79618497

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine (CID 64996287) is N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine is COCCN(CC(C)CBr)C1CC1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is LYABJHNFPKQMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-9(7-11)8-12(5-6-13-2)10-3-4-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine?
N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 250.18 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 64996287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).