1,3-ditert-butyl-2,2-dideuterioaziridine

C10H21N — CID 10920773

IUPAC1,3-ditert-butyl-2,2-dideuterioaziridine
SMILES[2H]C1([2H])C(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(2,3)8-7-11(8)10(4,5)6/h8H,7H2,1-6H3/i7D2
InChIKeyJYQCZIZCURZHOT-RJSZUWSASA-N
MW157.30 g/mol
LogP2.52
Rot. Bonds

About 1,3-ditert-butyl-2,2-dideuterioaziridine

1,3-ditert-butyl-2,2-dideuterioaziridine (PubChem CID 10920773) has the molecular formula C10H21N and a molecular weight of 157.30 g/mol. Its IUPAC name is 1,3-ditert-butyl-2,2-dideuterioaziridine.

Molecular Properties

Compound Name1,3-ditert-butyl-2,2-dideuterioaziridine
PubChem CID10920773
Molecular FormulaC10H21N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name1,3-ditert-butyl-2,2-dideuterioaziridine
SMILES[2H]C1([2H])C(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(2,3)8-7-11(8)10(4,5)6/h8H,7H2,1-6H3/i7D2
InChIKeyJYQCZIZCURZHOT-RJSZUWSASA-N
XLogP2.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.52
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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Related Compounds

1,3-ditert-butyl-2,2,4-trideuterio-4-methylazetidine
CID 90134220
3,4-ditert-butyl-3-azabicyclo[4.1.0]heptane
CID 126576784
1,2-ditert-butyl-4-fluoropyrrolidine
CID 58185605
(1S,4S)-2,5-ditert-butyl-1,3,3,4,6,6,7,7-octadeuterio-2-azabicyclo[2.2.1]heptane
CID 176728440
(5S)-4,5-ditert-butyl-1-methyl-1,4-diazepane
CID 171587505
1,4-ditert-butyl-2,2,3,3,5-pentadeuterio-5-methylpyrrolidine
CID 90134317
(5S)-4,5-ditert-butyl-1,4-thiazepane
CID 171587771
[(5S)-1,5-ditert-butylpyrrolidin-3-yl]methanol
CID 123267586
1,4-ditert-butyl-2,2,3,3,5,5,6-heptadeuterio-6-methylpiperazine
CID 90134318
1-tert-butyl-2-methylaziridine
CID 15557486
bis(1,2-ditert-butylpiperidine);1,2-ditert-butylpyrrolidine;ethane;methane;sulfane
CID 159802433
2-tert-butyl-1,3,3,4,6,7,7-heptadeuterio-2,5-diazabicyclo[2.2.1]heptane
CID 176728634

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2,2-dideuterioaziridine?
The IUPAC name of 1,3-ditert-butyl-2,2-dideuterioaziridine (CID 10920773) is 1,3-ditert-butyl-2,2-dideuterioaziridine.
What is the SMILES notation for 1,3-ditert-butyl-2,2-dideuterioaziridine?
The canonical SMILES for 1,3-ditert-butyl-2,2-dideuterioaziridine is [2H]C1([2H])C(C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 1,3-ditert-butyl-2,2-dideuterioaziridine?
The InChIKey is JYQCZIZCURZHOT-RJSZUWSASA-N. The full InChI is InChI=1S/C10H21N/c1-9(2,3)8-7-11(8)10(4,5)6/h8H,7H2,1-6H3/i7D2.
What are the key properties of 1,3-ditert-butyl-2,2-dideuterioaziridine?
1,3-ditert-butyl-2,2-dideuterioaziridine has a molecular weight of 157.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2,2-dideuterioaziridine is sourced from PubChem (CID 10920773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).