3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine

C11H24BrNO2 — CID 103413177

IUPAC3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine
SMILESCOCCOCCCN(C)CCC(C)Br
InChIInChI=1S/C11H24BrNO2/c1-11(12)5-7-13(2)6-4-8-15-10-9-14-3/h11H,4-10H2,1-3H3
InChIKeyMOHPUGYJJLCROV-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.14
Rot. Bonds10

About 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine

3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine (PubChem CID 103413177) has the molecular formula C11H24BrNO2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine
PubChem CID103413177
Molecular FormulaC11H24BrNO2
Molecular Weight282.22 g/mol
Exact Mass281.10
IUPAC Name3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine
SMILESCOCCOCCCN(C)CCC(C)Br
InChIInChI=1S/C11H24BrNO2/c1-11(12)5-7-13(2)6-4-8-15-10-9-14-3/h11H,4-10H2,1-3H3
InChIKeyMOHPUGYJJLCROV-UHFFFAOYSA-N
XLogP2.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.14
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-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
formaldehyde;N-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]-N-methyloctadecan-1-amine
CID 161166009
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
N-[3-(2-methoxyethoxy)propyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915870
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
4-bromo-1-(2-ethoxyethoxy)pentane
CID 54122384
2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
CID 143398421
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103409174
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine?
The IUPAC name of 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine (CID 103413177) is 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine.
What is the SMILES notation for 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine?
The canonical SMILES for 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine is COCCOCCCN(C)CCC(C)Br.
What is the InChIKey of 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine?
The InChIKey is MOHPUGYJJLCROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrNO2/c1-11(12)5-7-13(2)6-4-8-15-10-9-14-3/h11H,4-10H2,1-3H3.
What are the key properties of 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine?
3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 2.14, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine is sourced from PubChem (CID 103413177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).