2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine

C14H29N — CID 166904475

IUPAC2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine
SMILESCCC1(C)CN(C)C1(C)CCC(C)(C)C
InChIInChI=1S/C14H29N/c1-8-13(5)11-15(7)14(13,6)10-9-12(2,3)4/h8-11H2,1-7H3
InChIKeyYJKAJSBSOIEZEY-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds3

About 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine

2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine (PubChem CID 166904475) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine
PubChem CID166904475
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine
SMILESCCC1(C)CN(C)C1(C)CCC(C)(C)C
InChIInChI=1S/C14H29N/c1-8-13(5)11-15(7)14(13,6)10-9-12(2,3)4/h8-11H2,1-7H3
InChIKeyYJKAJSBSOIEZEY-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine?
The IUPAC name of 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine (CID 166904475) is 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine is CCC1(C)CN(C)C1(C)CCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine?
The InChIKey is YJKAJSBSOIEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-8-13(5)11-15(7)14(13,6)10-9-12(2,3)4/h8-11H2,1-7H3.
What are the key properties of 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine?
2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-3-ethyl-1,2,3-trimethylazetidine is sourced from PubChem (CID 166904475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).