3-tert-butyl-1-(2,3-dimethylbutyl)azetidine

C13H27N — CID 167253658

IUPAC3-tert-butyl-1-(2,3-dimethylbutyl)azetidine
SMILESCC(C)C(C)CN1CC(C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-10(2)11(3)7-14-8-12(9-14)13(4,5)6/h10-12H,7-9H2,1-6H3
InChIKeyUGDQBOGUUWWAMN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.26
Rot. Bonds3

About 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine

3-tert-butyl-1-(2,3-dimethylbutyl)azetidine (PubChem CID 167253658) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,3-dimethylbutyl)azetidine
PubChem CID167253658
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-tert-butyl-1-(2,3-dimethylbutyl)azetidine
SMILESCC(C)C(C)CN1CC(C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-10(2)11(3)7-14-8-12(9-14)13(4,5)6/h10-12H,7-9H2,1-6H3
InChIKeyUGDQBOGUUWWAMN-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-(3-methylbutyl)azetidine
CID 164785382
3-tert-butyl-1-propylazetidine
CID 134337419
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
2-(3-tert-butylazetidin-1-yl)-3-methylbutan-1-ol
CID 104550501
1-(2,3-dimethylbutyl)-3-methylpiperidine
CID 174315397
2-(3-tert-butylazetidin-1-yl)acetic acid
CID 79687035
3-tert-butyl-1-heptylazetidine
CID 157310046
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
3-tert-butyl-1-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methyl]azetidine
CID 169016284
1-(2,3-dimethylbutyl)-6-methyl-1,4-diazepane
CID 64599289
4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine
CID 64570673
3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 79689744

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine?
The IUPAC name of 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine (CID 167253658) is 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine.
What is the SMILES notation for 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine?
The canonical SMILES for 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine is CC(C)C(C)CN1CC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine?
The InChIKey is UGDQBOGUUWWAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)11(3)7-14-8-12(9-14)13(4,5)6/h10-12H,7-9H2,1-6H3.
What are the key properties of 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine?
3-tert-butyl-1-(2,3-dimethylbutyl)azetidine has a molecular weight of 197.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,3-dimethylbutyl)azetidine is sourced from PubChem (CID 167253658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).