3-(2,4,4-trimethylpent-2-en-3-yl)azetidine

C11H21N — CID 139460277

IUPAC3-(2,4,4-trimethylpent-2-en-3-yl)azetidine
SMILESCC(C)=C(C1CNC1)C(C)(C)C
InChIInChI=1S/C11H21N/c1-8(2)10(11(3,4)5)9-6-12-7-9/h9,12H,6-7H2,1-5H3
InChIKeyVXRMYNTWFBPLTF-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.59
Rot. Bonds1

About 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine

3-(2,4,4-trimethylpent-2-en-3-yl)azetidine (PubChem CID 139460277) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine.

Molecular Properties

Compound Name3-(2,4,4-trimethylpent-2-en-3-yl)azetidine
PubChem CID139460277
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-(2,4,4-trimethylpent-2-en-3-yl)azetidine
SMILESCC(C)=C(C1CNC1)C(C)(C)C
InChIInChI=1S/C11H21N/c1-8(2)10(11(3,4)5)9-6-12-7-9/h9,12H,6-7H2,1-5H3
InChIKeyVXRMYNTWFBPLTF-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine?
The IUPAC name of 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine (CID 139460277) is 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine.
What is the SMILES notation for 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine?
The canonical SMILES for 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine is CC(C)=C(C1CNC1)C(C)(C)C.
What is the InChIKey of 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine?
The InChIKey is VXRMYNTWFBPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10(11(3,4)5)9-6-12-7-9/h9,12H,6-7H2,1-5H3.
What are the key properties of 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine?
3-(2,4,4-trimethylpent-2-en-3-yl)azetidine has a molecular weight of 167.30 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,4-trimethylpent-2-en-3-yl)azetidine is sourced from PubChem (CID 139460277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).