3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine

C10H22BrNO — CID 106457825

IUPAC3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCN(CC)CCCBr
InChIInChI=1S/C10H22BrNO/c1-3-9-13-10-8-12(4-2)7-5-6-11/h3-10H2,1-2H3
InChIKeyLSGVIWNPEYJRNG-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.52
Rot. Bonds9

About 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine

3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine (PubChem CID 106457825) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
PubChem CID106457825
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
SMILESCCCOCCN(CC)CCCBr
InChIInChI=1S/C10H22BrNO/c1-3-9-13-10-8-12(4-2)7-5-6-11/h3-10H2,1-2H3
InChIKeyLSGVIWNPEYJRNG-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
CID 106450802
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911
N-[2-(2-chloroethoxy)ethyl]-N-ethylbutan-1-amine
CID 63666275
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 114263721
N'-(2-butoxyethyl)-N'-ethylethane-1,2-diamine
CID 61483279
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine
CID 88853551
N-(2-propoxyethyl)-3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 162116460
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
2-[ethyl(2-propoxyethyl)amino]ethanethioamide
CID 106452820

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine?
The IUPAC name of 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine (CID 106457825) is 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine?
The canonical SMILES for 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine is CCCOCCN(CC)CCCBr.
What is the InChIKey of 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine?
The InChIKey is LSGVIWNPEYJRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO/c1-3-9-13-10-8-12(4-2)7-5-6-11/h3-10H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine?
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine has a molecular weight of 252.20 g/mol, XLogP of 2.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine is sourced from PubChem (CID 106457825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).