2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine

C11H21N — CID 176940990

IUPAC2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine
SMILESC=CC1(C)CC(CC)N1C(C)C
InChIInChI=1S/C11H21N/c1-6-10-8-11(5,7-2)12(10)9(3)4/h7,9-10H,2,6,8H2,1,3-5H3
InChIKeyRMKAZWYDABJWBG-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.82
Rot. Bonds3

About 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine

2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine (PubChem CID 176940990) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine
PubChem CID176940990
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine
SMILESC=CC1(C)CC(CC)N1C(C)C
InChIInChI=1S/C11H21N/c1-6-10-8-11(5,7-2)12(10)9(3)4/h7,9-10H,2,6,8H2,1,3-5H3
InChIKeyRMKAZWYDABJWBG-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.82
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 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine?
The IUPAC name of 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine (CID 176940990) is 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine.
What is the SMILES notation for 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine?
The canonical SMILES for 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine is C=CC1(C)CC(CC)N1C(C)C.
What is the InChIKey of 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine?
The InChIKey is RMKAZWYDABJWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-10-8-11(5,7-2)12(10)9(3)4/h7,9-10H,2,6,8H2,1,3-5H3.
What are the key properties of 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine?
2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine has a molecular weight of 167.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-ethyl-2-methyl-1-propan-2-ylazetidine is sourced from PubChem (CID 176940990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).