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

C15H30BrNO3 — CID 104567265

IUPACN-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
SMILESCOCCOCCOCCN(CCBr)C1CCCCC1
InChIInChI=1S/C15H30BrNO3/c1-18-11-12-20-14-13-19-10-9-17(8-7-16)15-5-3-2-4-6-15/h15H,2-14H2,1H3
InChIKeyIZYDHRDNCXUEND-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.70
Rot. Bonds12

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

N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine (PubChem CID 104567265) has the molecular formula C15H30BrNO3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
PubChem CID104567265
Molecular FormulaC15H30BrNO3
Molecular Weight352.31 g/mol
Exact Mass351.14
IUPAC NameN-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine
SMILESCOCCOCCOCCN(CCBr)C1CCCCC1
InChIInChI=1S/C15H30BrNO3/c1-18-11-12-20-14-13-19-10-9-17(8-7-16)15-5-3-2-4-6-15/h15H,2-14H2,1H3
InChIKeyIZYDHRDNCXUEND-UHFFFAOYSA-N
XLogP2.70
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.70
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'}

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Related Compounds

N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104567253
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
CID 103413097
2-[cyclohexyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 104566071
N'-cyclopentyl-N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 104561146
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
CID 80674486
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
CID 102861077
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N-(3-bromo-2-methylpropyl)-N-(2-methoxyethyl)cyclopropanamine
CID 64996287
N-[2-(2-aminoethoxy)ethyl]-N-ethylcyclohexanamine
CID 19098628

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine?
The IUPAC name of N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine (CID 104567265) is N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine is COCCOCCOCCN(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine?
The InChIKey is IZYDHRDNCXUEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrNO3/c1-18-11-12-20-14-13-19-10-9-17(8-7-16)15-5-3-2-4-6-15/h15H,2-14H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine?
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexanamine has a molecular weight of 352.31 g/mol, XLogP of 2.70, 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]cyclohexanamine is sourced from PubChem (CID 104567265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).