1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium

C9H20N+ — CID 123326864

IUPAC1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium
SMILESCC(C)C1(C)C(C)[N+]1(C)C
InChIInChI=1S/C9H20N/c1-7(2)9(4)8(3)10(9,5)6/h7-8H,1-6H3/q+1
InChIKeyOTOMTGBFSOJVMF-UHFFFAOYSA-N
MW142.27 g/mol
LogP1.88
Rot. Bonds1

About 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium

1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium (PubChem CID 123326864) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium.

Molecular Properties

Compound Name1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium
PubChem CID123326864
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Name1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium
SMILESCC(C)C1(C)C(C)[N+]1(C)C
InChIInChI=1S/C9H20N/c1-7(2)9(4)8(3)10(9,5)6/h7-8H,1-6H3/q+1
InChIKeyOTOMTGBFSOJVMF-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium?
The IUPAC name of 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium (CID 123326864) is 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium.
What is the SMILES notation for 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium?
The canonical SMILES for 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium is CC(C)C1(C)C(C)[N+]1(C)C.
What is the InChIKey of 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium?
The InChIKey is OTOMTGBFSOJVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-7(2)9(4)8(3)10(9,5)6/h7-8H,1-6H3/q+1.
What are the key properties of 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium?
1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium has a molecular weight of 142.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetramethyl-2-propan-2-ylaziridin-1-ium is sourced from PubChem (CID 123326864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).