1-(3-chloropropyl)-2,3-dimethylaziridine

C7H14ClN — CID 54216139

IUPAC1-(3-chloropropyl)-2,3-dimethylaziridine
SMILESCC1C(C)N1CCCCl
InChIInChI=1S/C7H14ClN/c1-6-7(2)9(6)5-3-4-8/h6-7H,3-5H2,1-2H3
InChIKeyPZHVSOTYBYWYQI-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.71
Rot. Bonds3

About 1-(3-chloropropyl)-2,3-dimethylaziridine

1-(3-chloropropyl)-2,3-dimethylaziridine (PubChem CID 54216139) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 1-(3-chloropropyl)-2,3-dimethylaziridine.

Molecular Properties

Compound Name1-(3-chloropropyl)-2,3-dimethylaziridine
PubChem CID54216139
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name1-(3-chloropropyl)-2,3-dimethylaziridine
SMILESCC1C(C)N1CCCCl
InChIInChI=1S/C7H14ClN/c1-6-7(2)9(6)5-3-4-8/h6-7H,3-5H2,1-2H3
InChIKeyPZHVSOTYBYWYQI-UHFFFAOYSA-N
XLogP1.71
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-2,3-dimethylaziridine?
The IUPAC name of 1-(3-chloropropyl)-2,3-dimethylaziridine (CID 54216139) is 1-(3-chloropropyl)-2,3-dimethylaziridine.
What is the SMILES notation for 1-(3-chloropropyl)-2,3-dimethylaziridine?
The canonical SMILES for 1-(3-chloropropyl)-2,3-dimethylaziridine is CC1C(C)N1CCCCl.
What is the InChIKey of 1-(3-chloropropyl)-2,3-dimethylaziridine?
The InChIKey is PZHVSOTYBYWYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-6-7(2)9(6)5-3-4-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(3-chloropropyl)-2,3-dimethylaziridine?
1-(3-chloropropyl)-2,3-dimethylaziridine has a molecular weight of 147.65 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-2,3-dimethylaziridine is sourced from PubChem (CID 54216139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).