2-methyl-2-propylaziridine

C6H13N — CID 55287682

IUPAC2-methyl-2-propylaziridine
SMILESCCCC1(C)CN1
InChIInChI=1S/C6H13N/c1-3-4-6(2)5-7-6/h7H,3-5H2,1-2H3
InChIKeyDLFSNZDYISAJFV-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.15
Rot. Bonds2

About 2-methyl-2-propylaziridine

2-methyl-2-propylaziridine (PubChem CID 55287682) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 2-methyl-2-propylaziridine.

Molecular Properties

Compound Name2-methyl-2-propylaziridine
PubChem CID55287682
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name2-methyl-2-propylaziridine
SMILESCCCC1(C)CN1
InChIInChI=1S/C6H13N/c1-3-4-6(2)5-7-6/h7H,3-5H2,1-2H3
InChIKeyDLFSNZDYISAJFV-UHFFFAOYSA-N
XLogP1.15
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylaziridine?
The IUPAC name of 2-methyl-2-propylaziridine (CID 55287682) is 2-methyl-2-propylaziridine.
What is the SMILES notation for 2-methyl-2-propylaziridine?
The canonical SMILES for 2-methyl-2-propylaziridine is CCCC1(C)CN1.
What is the InChIKey of 2-methyl-2-propylaziridine?
The InChIKey is DLFSNZDYISAJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-3-4-6(2)5-7-6/h7H,3-5H2,1-2H3.
What are the key properties of 2-methyl-2-propylaziridine?
2-methyl-2-propylaziridine has a molecular weight of 99.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylaziridine is sourced from PubChem (CID 55287682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).