3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine

C16H33N — CID 144754749

IUPAC3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine
SMILESCCCC(C)(C)CC1(C(C)(C)CCC)CNC1
InChIInChI=1S/C16H33N/c1-7-9-14(3,4)11-16(12-17-13-16)15(5,6)10-8-2/h17H,7-13H2,1-6H3
InChIKeyFZCUTMOVIFULBZ-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds7

About 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine

3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine (PubChem CID 144754749) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine.

Molecular Properties

Compound Name3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine
PubChem CID144754749
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine
SMILESCCCC(C)(C)CC1(C(C)(C)CCC)CNC1
InChIInChI=1S/C16H33N/c1-7-9-14(3,4)11-16(12-17-13-16)15(5,6)10-8-2/h17H,7-13H2,1-6H3
InChIKeyFZCUTMOVIFULBZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine?
The IUPAC name of 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine (CID 144754749) is 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine.
What is the SMILES notation for 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine?
The canonical SMILES for 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine is CCCC(C)(C)CC1(C(C)(C)CCC)CNC1.
What is the InChIKey of 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine?
The InChIKey is FZCUTMOVIFULBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-7-9-14(3,4)11-16(12-17-13-16)15(5,6)10-8-2/h17H,7-13H2,1-6H3.
What are the key properties of 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine?
3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpentyl)-3-(2-methylpentan-2-yl)azetidine is sourced from PubChem (CID 144754749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).