1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine

C12H23N — CID 126992939

IUPAC1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine
SMILESCC(C1C(C)(C)C1(C)C)N1CCC1
InChIInChI=1S/C12H23N/c1-9(13-7-6-8-13)10-11(2,3)12(10,4)5/h9-10H,6-8H2,1-5H3
InChIKeyUTGOYYIMCJGLBU-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds2

About 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine

1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine (PubChem CID 126992939) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine.

Molecular Properties

Compound Name1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine
PubChem CID126992939
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine
SMILESCC(C1C(C)(C)C1(C)C)N1CCC1
InChIInChI=1S/C12H23N/c1-9(13-7-6-8-13)10-11(2,3)12(10,4)5/h9-10H,6-8H2,1-5H3
InChIKeyUTGOYYIMCJGLBU-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine?
The IUPAC name of 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine (CID 126992939) is 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine.
What is the SMILES notation for 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine?
The canonical SMILES for 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine is CC(C1C(C)(C)C1(C)C)N1CCC1.
What is the InChIKey of 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine?
The InChIKey is UTGOYYIMCJGLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(13-7-6-8-13)10-11(2,3)12(10,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine?
1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine has a molecular weight of 181.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,3,3-tetramethylcyclopropyl)ethyl]azetidine is sourced from PubChem (CID 126992939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).