5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine

C15H32BrNO3 — CID 107320355

IUPAC5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
SMILESCCCCOCCOCCOCCNCCCCCBr
InChIInChI=1S/C15H32BrNO3/c1-2-3-10-18-12-14-20-15-13-19-11-9-17-8-6-4-5-7-16/h17H,2-15H2,1H3
InChIKeyCLMQEGRVMSVJBN-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.99
Rot. Bonds17

About 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine

5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine (PubChem CID 107320355) has the molecular formula C15H32BrNO3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
PubChem CID107320355
Molecular FormulaC15H32BrNO3
Molecular Weight354.33 g/mol
Exact Mass353.16
IUPAC Name5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
SMILESCCCCOCCOCCOCCNCCCCCBr
InChIInChI=1S/C15H32BrNO3/c1-2-3-10-18-12-14-20-15-13-19-11-9-17-8-6-4-5-7-16/h17H,2-15H2,1H3
InChIKeyCLMQEGRVMSVJBN-UHFFFAOYSA-N
XLogP2.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
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

4-bromo-N-(2-propoxyethyl)butan-1-amine
CID 106844739
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
1-bromo-9-(2-butoxyethoxy)nonane
CID 105343286
4-bromo-N-(2-ethoxyethyl)butan-1-amine
CID 106844762
6-bromo-N-pentylhexan-1-amine
CID 107844161
1-bromo-8-butoxyoctane
CID 88564770
N-(5-bromopentyl)octan-1-amine
CID 107320236
5-bromo-N-pentylpentan-1-amine
CID 107320303
6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 107844046
1-bromo-6-(3-butoxypropoxy)hexane
CID 19987565
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
5-(2-butoxyethoxy)-N-ethylpentan-1-amine
CID 62456764

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine?
The IUPAC name of 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine (CID 107320355) is 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine.
What is the SMILES notation for 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine?
The canonical SMILES for 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine is CCCCOCCOCCOCCNCCCCCBr.
What is the InChIKey of 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine?
The InChIKey is CLMQEGRVMSVJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32BrNO3/c1-2-3-10-18-12-14-20-15-13-19-11-9-17-8-6-4-5-7-16/h17H,2-15H2,1H3.
What are the key properties of 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine?
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine has a molecular weight of 354.33 g/mol, XLogP of 2.99, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine is sourced from PubChem (CID 107320355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).