N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine

C13H26BrNO2 — CID 103413097

IUPACN-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
SMILESCOCCOCCCN(CCBr)C1CCCC1
InChIInChI=1S/C13H26BrNO2/c1-16-11-12-17-10-4-8-15(9-7-14)13-5-2-3-6-13/h13H,2-12H2,1H3
InChIKeySXXSBRKTNCMOHR-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.68
Rot. Bonds10

About N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine

N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine (PubChem CID 103413097) has the molecular formula C13H26BrNO2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
PubChem CID103413097
Molecular FormulaC13H26BrNO2
Molecular Weight308.26 g/mol
Exact Mass307.11
IUPAC NameN-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
SMILESCOCCOCCCN(CCBr)C1CCCC1
InChIInChI=1S/C13H26BrNO2/c1-16-11-12-17-10-4-8-15(9-7-14)13-5-2-3-6-13/h13H,2-12H2,1H3
InChIKeySXXSBRKTNCMOHR-UHFFFAOYSA-N
XLogP2.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]cyclohexanamine
CID 104567265
N-(2-bromoethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104567253
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'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
CID 63387922
N-(2-bromoethyl)-N-dodecylcyclobutanamine
CID 102860890
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
N-[3-(2-methoxyethoxy)propyl]-N-propylazetidin-3-amine
CID 103411100
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine (CID 103413097) is N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine is COCCOCCCN(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine?
The InChIKey is SXXSBRKTNCMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2/c1-16-11-12-17-10-4-8-15(9-7-14)13-5-2-3-6-13/h13H,2-12H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine?
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine has a molecular weight of 308.26 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine is sourced from PubChem (CID 103413097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).