3-tert-butyl-1-(3-methylbutyl)azetidine

C12H25N — CID 164785382

IUPAC3-tert-butyl-1-(3-methylbutyl)azetidine
SMILESCC(C)CCN1CC(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-10(2)6-7-13-8-11(9-13)12(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyJWWYCDBXNZKBJH-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds3

About 3-tert-butyl-1-(3-methylbutyl)azetidine

3-tert-butyl-1-(3-methylbutyl)azetidine (PubChem CID 164785382) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-methylbutyl)azetidine.

Molecular Properties

Compound Name3-tert-butyl-1-(3-methylbutyl)azetidine
PubChem CID164785382
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-tert-butyl-1-(3-methylbutyl)azetidine
SMILESCC(C)CCN1CC(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-10(2)6-7-13-8-11(9-13)12(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyJWWYCDBXNZKBJH-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-propylazetidine
CID 134337419
1-(3-methylbutyl)-3-[2-methyl-4-[1-(3-methylbutyl)azetidin-3-yl]pentan-2-yl]azetidine
CID 130306051
3-tert-butyl-1-(3,3-dimethylbutyl)azetidine
CID 138460802
3-tert-butyl-1-(2,3-dimethylbutyl)azetidine
CID 167253658
3-tert-butyl-1-heptylazetidine
CID 157310046
5-(3-tert-butylazetidin-1-yl)pentan-1-ol
CID 107319643
2-(3-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 14761806
1-(3-methylbutyl)-3-methylsulfanylazetidine
CID 59761969
3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 168740489
1-[3-(3-tert-butylazetidin-1-yl)propyl]piperazine
CID 79677755
imino-methyl-[1-(3-methylbutyl)azetidin-3-yl]-oxo-λ6-sulfane
CID 166562090
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-methylbutyl)azetidine?
The IUPAC name of 3-tert-butyl-1-(3-methylbutyl)azetidine (CID 164785382) is 3-tert-butyl-1-(3-methylbutyl)azetidine.
What is the SMILES notation for 3-tert-butyl-1-(3-methylbutyl)azetidine?
The canonical SMILES for 3-tert-butyl-1-(3-methylbutyl)azetidine is CC(C)CCN1CC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-(3-methylbutyl)azetidine?
The InChIKey is JWWYCDBXNZKBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)6-7-13-8-11(9-13)12(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-1-(3-methylbutyl)azetidine?
3-tert-butyl-1-(3-methylbutyl)azetidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 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-(3-methylbutyl)azetidine is sourced from PubChem (CID 164785382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).