(3S)-1,2,2,3-tetramethylaziridine

C6H13N — CID 153012898

IUPAC(3S)-1,2,2,3-tetramethylaziridine
SMILESC[C@@H]1N(C)C1(C)C
InChIInChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m0/s1
InChIKeyVAKAAKBVNXDCNZ-DSEUIKHZSA-N
MW99.18 g/mol
LogP1.10
Rot. Bonds

About (3S)-1,2,2,3-tetramethylaziridine

(3S)-1,2,2,3-tetramethylaziridine (PubChem CID 153012898) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (3S)-1,2,2,3-tetramethylaziridine.

Molecular Properties

Compound Name(3S)-1,2,2,3-tetramethylaziridine
PubChem CID153012898
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(3S)-1,2,2,3-tetramethylaziridine
SMILESC[C@@H]1N(C)C1(C)C
InChIInChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m0/s1
InChIKeyVAKAAKBVNXDCNZ-DSEUIKHZSA-N
XLogP1.10
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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1-cyclohexyl-2,2,3-trimethylaziridine
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Frequently Asked Questions

What is the IUPAC name of (3S)-1,2,2,3-tetramethylaziridine?
The IUPAC name of (3S)-1,2,2,3-tetramethylaziridine (CID 153012898) is (3S)-1,2,2,3-tetramethylaziridine.
What is the SMILES notation for (3S)-1,2,2,3-tetramethylaziridine?
The canonical SMILES for (3S)-1,2,2,3-tetramethylaziridine is C[C@@H]1N(C)C1(C)C.
What is the InChIKey of (3S)-1,2,2,3-tetramethylaziridine?
The InChIKey is VAKAAKBVNXDCNZ-DSEUIKHZSA-N. The full InChI is InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m0/s1.
What are the key properties of (3S)-1,2,2,3-tetramethylaziridine?
(3S)-1,2,2,3-tetramethylaziridine has a molecular weight of 99.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,2,2,3-tetramethylaziridine is sourced from PubChem (CID 153012898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).