2-butan-2-yl-1,3-dimethylaziridine

C8H17N — CID 90886206

IUPAC2-butan-2-yl-1,3-dimethylaziridine
SMILESCCC(C)C1C(C)N1C
InChIInChI=1S/C8H17N/c1-5-6(2)8-7(3)9(8)4/h6-8H,5H2,1-4H3
InChIKeyQBDVFYFZSYTFCM-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.74
Rot. Bonds2

About 2-butan-2-yl-1,3-dimethylaziridine

2-butan-2-yl-1,3-dimethylaziridine (PubChem CID 90886206) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 2-butan-2-yl-1,3-dimethylaziridine.

Molecular Properties

Compound Name2-butan-2-yl-1,3-dimethylaziridine
PubChem CID90886206
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name2-butan-2-yl-1,3-dimethylaziridine
SMILESCCC(C)C1C(C)N1C
InChIInChI=1S/C8H17N/c1-5-6(2)8-7(3)9(8)4/h6-8H,5H2,1-4H3
InChIKeyQBDVFYFZSYTFCM-UHFFFAOYSA-N
XLogP1.74
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3-dimethylaziridine?
The IUPAC name of 2-butan-2-yl-1,3-dimethylaziridine (CID 90886206) is 2-butan-2-yl-1,3-dimethylaziridine.
What is the SMILES notation for 2-butan-2-yl-1,3-dimethylaziridine?
The canonical SMILES for 2-butan-2-yl-1,3-dimethylaziridine is CCC(C)C1C(C)N1C.
What is the InChIKey of 2-butan-2-yl-1,3-dimethylaziridine?
The InChIKey is QBDVFYFZSYTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-5-6(2)8-7(3)9(8)4/h6-8H,5H2,1-4H3.
What are the key properties of 2-butan-2-yl-1,3-dimethylaziridine?
2-butan-2-yl-1,3-dimethylaziridine has a molecular weight of 127.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3-dimethylaziridine is sourced from PubChem (CID 90886206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).