1-bromo-2-propylaziridine

C5H10BrN — CID 544623

IUPAC1-bromo-2-propylaziridine
SMILESCCCC1CN1Br
InChIInChI=1S/C5H10BrN/c1-2-3-5-4-7(5)6/h5H,2-4H2,1H3
InChIKeyIEXKWGUPUDTVRF-UHFFFAOYSA-N
MW164.05 g/mol
LogP1.78
Rot. Bonds2

About 1-bromo-2-propylaziridine

1-bromo-2-propylaziridine (PubChem CID 544623) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is 1-bromo-2-propylaziridine.

Molecular Properties

Compound Name1-bromo-2-propylaziridine
PubChem CID544623
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name1-bromo-2-propylaziridine
SMILESCCCC1CN1Br
InChIInChI=1S/C5H10BrN/c1-2-3-5-4-7(5)6/h5H,2-4H2,1H3
InChIKeyIEXKWGUPUDTVRF-UHFFFAOYSA-N
XLogP1.78
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-5-propylpyrrolidin-3-ol
CID 102568671
1-methyl-5-propan-2-yl-2-propylpiperidine
CID 170383882
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
(2R)-1-propan-2-yl-2-propylazetidine
CID 167386397
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
1-hydroxy-2-propylpyrrolidine
CID 123695785
2-ethyl-1-methyl-5-propylpiperidine
CID 123231200
(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
CID 99995289
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
(2S)-1-tert-butyl-2-propylpyrrolidine
CID 126658078
(2S)-1-cyclopentyl-2-propylpiperidine
CID 170635716
(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-propylaziridine?
The IUPAC name of 1-bromo-2-propylaziridine (CID 544623) is 1-bromo-2-propylaziridine.
What is the SMILES notation for 1-bromo-2-propylaziridine?
The canonical SMILES for 1-bromo-2-propylaziridine is CCCC1CN1Br.
What is the InChIKey of 1-bromo-2-propylaziridine?
The InChIKey is IEXKWGUPUDTVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrN/c1-2-3-5-4-7(5)6/h5H,2-4H2,1H3.
What are the key properties of 1-bromo-2-propylaziridine?
1-bromo-2-propylaziridine has a molecular weight of 164.05 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-propylaziridine is sourced from PubChem (CID 544623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).