3-tert-butyl-1-(3,3-dimethylbutyl)azetidine

C13H27N — CID 138460802

IUPAC3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
SMILESCC(C)(C)CCN1CC(C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-12(2,3)7-8-14-9-11(10-14)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyVVOUOGYNKGBLMM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds2

About 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine

3-tert-butyl-1-(3,3-dimethylbutyl)azetidine (PubChem CID 138460802) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine.

Molecular Properties

Compound Name3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
PubChem CID138460802
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
SMILESCC(C)(C)CCN1CC(C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-12(2,3)7-8-14-9-11(10-14)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyVVOUOGYNKGBLMM-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-propylazetidine
CID 134337419
1-(3,3-dimethylbutyl)azetidin-3-ol
CID 58530884
3-tert-butyl-1-(3-methylbutyl)azetidine
CID 164785382
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
3-tert-butyl-1-heptylazetidine
CID 157310046
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
CID 64618314
3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
CID 152833336
1-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine
CID 166788258
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]propanoic acid
CID 116683997
3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine
CID 169016284
1-(3,3-dimethylbutyl)pyrrolidin-3-ol
CID 18768948

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine?
The IUPAC name of 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine (CID 138460802) is 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine.
What is the SMILES notation for 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine?
The canonical SMILES for 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine is CC(C)(C)CCN1CC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine?
The InChIKey is VVOUOGYNKGBLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)7-8-14-9-11(10-14)13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine?
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine has a molecular weight of 197.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3,3-dimethylbutyl)azetidine is sourced from PubChem (CID 138460802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).