1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine

C14H26N2 — CID 176737740

IUPAC1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine
SMILESCC(C)(C)N1CC(=C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H26N2/c1-13(2,3)15-7-11(8-15)12-9-16(10-12)14(4,5)6/h7-10H2,1-6H3
InChIKeyBPDRGXXGWGMLLE-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.51
Rot. Bonds

About 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine

1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine (PubChem CID 176737740) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine
PubChem CID176737740
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine
SMILESCC(C)(C)N1CC(=C2CN(C(C)(C)C)C2)C1
InChIInChI=1S/C14H26N2/c1-13(2,3)15-7-11(8-15)12-9-16(10-12)14(4,5)6/h7-10H2,1-6H3
InChIKeyBPDRGXXGWGMLLE-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butyl-3-propan-2-ylideneazetidine
CID 176805104

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine?
The IUPAC name of 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine (CID 176737740) is 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine?
The canonical SMILES for 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine is CC(C)(C)N1CC(=C2CN(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine?
The InChIKey is BPDRGXXGWGMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-13(2,3)15-7-11(8-15)12-9-16(10-12)14(4,5)6/h7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine?
1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine has a molecular weight of 222.38 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine is sourced from PubChem (CID 176737740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).