1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine

C7H14Br3N — CID 153424545

IUPAC1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine
SMILESCCN(CCBr)C(CBr)CBr
InChIInChI=1S/C7H14Br3N/c1-2-11(4-3-8)7(5-9)6-10/h7H,2-6H2,1H3
InChIKeyLPPUYNKZRWOMEZ-UHFFFAOYSA-N
MW351.91 g/mol
LogP2.86
Rot. Bonds6

About 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine

1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine (PubChem CID 153424545) has the molecular formula C7H14Br3N and a molecular weight of 351.91 g/mol. Its IUPAC name is 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine
PubChem CID153424545
Molecular FormulaC7H14Br3N
Molecular Weight351.91 g/mol
Exact Mass348.87
IUPAC Name1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine
SMILESCCN(CCBr)C(CBr)CBr
InChIInChI=1S/C7H14Br3N/c1-2-11(4-3-8)7(5-9)6-10/h7H,2-6H2,1H3
InChIKeyLPPUYNKZRWOMEZ-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.91
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
N-(2-bromoethyl)-N-(3-methylbutyl)pentan-3-amine
CID 80691707
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 80691309
N-(2-bromoethyl)-4-methyl-N-pentan-3-ylpentan-1-amine
CID 83168231
N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
CID 106457771
ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
CID 142596203
N-(2-bromoethyl)-N-(2,2-difluoroethyl)butan-2-amine
CID 107487764
N-(3-bromopropyl)-N-ethylpentan-2-amine
CID 107887563
N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine
CID 80691017
N-(2-bromoethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 80691150
N-(2-bromoethyl)-N-(3-chloro-2-methylprop-2-enyl)pentan-3-amine
CID 106440025
ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine
CID 176567703

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine?
The IUPAC name of 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine (CID 153424545) is 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine is CCN(CCBr)C(CBr)CBr.
What is the InChIKey of 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine?
The InChIKey is LPPUYNKZRWOMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Br3N/c1-2-11(4-3-8)7(5-9)6-10/h7H,2-6H2,1H3.
What are the key properties of 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine?
1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine has a molecular weight of 351.91 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-N-(2-bromoethyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 153424545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).