2,2,3,3-tetrapropylaziridine

C14H29N — CID 87702874

IUPAC2,2,3,3-tetrapropylaziridine
SMILESCCCC1(CCC)NC1(CCC)CCC
InChIInChI=1S/C14H29N/c1-5-9-13(10-6-2)14(15-13,11-7-3)12-8-4/h15H,5-12H2,1-4H3
InChIKeyZXULIYPEJSKDKF-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.27
Rot. Bonds8

About 2,2,3,3-tetrapropylaziridine

2,2,3,3-tetrapropylaziridine (PubChem CID 87702874) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2,2,3,3-tetrapropylaziridine.

Molecular Properties

Compound Name2,2,3,3-tetrapropylaziridine
PubChem CID87702874
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2,2,3,3-tetrapropylaziridine
SMILESCCCC1(CCC)NC1(CCC)CCC
InChIInChI=1S/C14H29N/c1-5-9-13(10-6-2)14(15-13,11-7-3)12-8-4/h15H,5-12H2,1-4H3
InChIKeyZXULIYPEJSKDKF-UHFFFAOYSA-N
XLogP4.27
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.27
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 2,2,3,3-tetrapropylaziridine?
The IUPAC name of 2,2,3,3-tetrapropylaziridine (CID 87702874) is 2,2,3,3-tetrapropylaziridine.
What is the SMILES notation for 2,2,3,3-tetrapropylaziridine?
The canonical SMILES for 2,2,3,3-tetrapropylaziridine is CCCC1(CCC)NC1(CCC)CCC.
What is the InChIKey of 2,2,3,3-tetrapropylaziridine?
The InChIKey is ZXULIYPEJSKDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-9-13(10-6-2)14(15-13,11-7-3)12-8-4/h15H,5-12H2,1-4H3.
What are the key properties of 2,2,3,3-tetrapropylaziridine?
2,2,3,3-tetrapropylaziridine has a molecular weight of 211.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrapropylaziridine is sourced from PubChem (CID 87702874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).