3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine

C11H21N — CID 167115732

IUPAC3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine
SMILESC=C(C)CCC1(CC)CN(C)C1
InChIInChI=1S/C11H21N/c1-5-11(7-6-10(2)3)8-12(4)9-11/h2,5-9H2,1,3-4H3
InChIKeyJDVRFYQXYMDXPU-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds4

About 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine

3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine (PubChem CID 167115732) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine
PubChem CID167115732
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine
SMILESC=C(C)CCC1(CC)CN(C)C1
InChIInChI=1S/C11H21N/c1-5-11(7-6-10(2)3)8-12(4)9-11/h2,5-9H2,1,3-4H3
InChIKeyJDVRFYQXYMDXPU-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
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-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine?
The IUPAC name of 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine (CID 167115732) is 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine.
What is the SMILES notation for 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine?
The canonical SMILES for 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine is C=C(C)CCC1(CC)CN(C)C1.
What is the InChIKey of 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine?
The InChIKey is JDVRFYQXYMDXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-11(7-6-10(2)3)8-12(4)9-11/h2,5-9H2,1,3-4H3.
What are the key properties of 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine?
3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3-(3-methylbut-3-enyl)azetidine is sourced from PubChem (CID 167115732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).