4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine

C10H22BrNO2 — CID 61418353

IUPAC4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine
SMILESCOCCN(CCCCBr)CCOC
InChIInChI=1S/C10H22BrNO2/c1-13-9-7-12(8-10-14-2)6-4-3-5-11/h3-10H2,1-2H3
InChIKeyYLKGQWBIOQXDJH-UHFFFAOYSA-N
MW268.19 g/mol
LogP1.76
Rot. Bonds10

About 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine

4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine (PubChem CID 61418353) has the molecular formula C10H22BrNO2 and a molecular weight of 268.19 g/mol. Its IUPAC name is 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine
PubChem CID61418353
Molecular FormulaC10H22BrNO2
Molecular Weight268.19 g/mol
Exact Mass267.08
IUPAC Name4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine
SMILESCOCCN(CCCCBr)CCOC
InChIInChI=1S/C10H22BrNO2/c1-13-9-7-12(8-10-14-2)6-4-3-5-11/h3-10H2,1-2H3
InChIKeyYLKGQWBIOQXDJH-UHFFFAOYSA-N
XLogP1.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine (CID 61418353) is 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine is COCCN(CCCCBr)CCOC.
What is the InChIKey of 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine?
The InChIKey is YLKGQWBIOQXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2/c1-13-9-7-12(8-10-14-2)6-4-3-5-11/h3-10H2,1-2H3.
What are the key properties of 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine?
4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine has a molecular weight of 268.19 g/mol, XLogP of 1.76, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 61418353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).