3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine

C12H21N — CID 134449581

IUPAC3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine
SMILESC=CC1CN(C2CC2CC)C1CC
InChIInChI=1S/C12H21N/c1-4-9-7-12(9)13-8-10(5-2)11(13)6-3/h5,9-12H,2,4,6-8H2,1,3H3
InChIKeyQHXJFXOJMVZJTL-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.68
Rot. Bonds4

About 3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine

3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine (PubChem CID 134449581) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine.

Molecular Properties

Compound Name3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine
PubChem CID134449581
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine
SMILESC=CC1CN(C2CC2CC)C1CC
InChIInChI=1S/C12H21N/c1-4-9-7-12(9)13-8-10(5-2)11(13)6-3/h5,9-12H,2,4,6-8H2,1,3H3
InChIKeyQHXJFXOJMVZJTL-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
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-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine?
The IUPAC name of 3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine (CID 134449581) is 3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine.
What is the SMILES notation for 3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine?
The canonical SMILES for 3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine is C=CC1CN(C2CC2CC)C1CC.
What is the InChIKey of 3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine?
The InChIKey is QHXJFXOJMVZJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-9-7-12(9)13-8-10(5-2)11(13)6-3/h5,9-12H,2,4,6-8H2,1,3H3.
What are the key properties of 3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine?
3-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine has a molecular weight of 179.31 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-ethenyl-2-ethyl-1-(2-ethylcyclopropyl)azetidine is sourced from PubChem (CID 134449581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).