1-tert-butyl-2-methylideneazetidine

C8H15N — CID 89403443

IUPAC1-tert-butyl-2-methylideneazetidine
SMILESC=C1CCN1C(C)(C)C
InChIInChI=1S/C8H15N/c1-7-5-6-9(7)8(2,3)4/h1,5-6H2,2-4H3
InChIKeyGNYPGEHQFXTUIS-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.00
Rot. Bonds

About 1-tert-butyl-2-methylideneazetidine

1-tert-butyl-2-methylideneazetidine (PubChem CID 89403443) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-tert-butyl-2-methylideneazetidine.

Molecular Properties

Compound Name1-tert-butyl-2-methylideneazetidine
PubChem CID89403443
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-tert-butyl-2-methylideneazetidine
SMILESC=C1CCN1C(C)(C)C
InChIInChI=1S/C8H15N/c1-7-5-6-9(7)8(2,3)4/h1,5-6H2,2-4H3
InChIKeyGNYPGEHQFXTUIS-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylideneazetidine?
The IUPAC name of 1-tert-butyl-2-methylideneazetidine (CID 89403443) is 1-tert-butyl-2-methylideneazetidine.
What is the SMILES notation for 1-tert-butyl-2-methylideneazetidine?
The canonical SMILES for 1-tert-butyl-2-methylideneazetidine is C=C1CCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylideneazetidine?
The InChIKey is GNYPGEHQFXTUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7-5-6-9(7)8(2,3)4/h1,5-6H2,2-4H3.
What are the key properties of 1-tert-butyl-2-methylideneazetidine?
1-tert-butyl-2-methylideneazetidine has a molecular weight of 125.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylideneazetidine is sourced from PubChem (CID 89403443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).