1,3-bis(2-methylbutan-2-yl)azetidine

C13H27N — CID 176964462

IUPAC1,3-bis(2-methylbutan-2-yl)azetidine
SMILESCCC(C)(C)C1CN(C(C)(C)CC)C1
InChIInChI=1S/C13H27N/c1-7-12(3,4)11-9-14(10-11)13(5,6)8-2/h11H,7-10H2,1-6H3
InChIKeyWCDUGZNOCXOCJD-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds4

About 1,3-bis(2-methylbutan-2-yl)azetidine

1,3-bis(2-methylbutan-2-yl)azetidine (PubChem CID 176964462) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,3-bis(2-methylbutan-2-yl)azetidine.

Molecular Properties

Compound Name1,3-bis(2-methylbutan-2-yl)azetidine
PubChem CID176964462
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,3-bis(2-methylbutan-2-yl)azetidine
SMILESCCC(C)(C)C1CN(C(C)(C)CC)C1
InChIInChI=1S/C13H27N/c1-7-12(3,4)11-9-14(10-11)13(5,6)8-2/h11H,7-10H2,1-6H3
InChIKeyWCDUGZNOCXOCJD-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
CID 155259857
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
N-[1-(2-methylbutan-2-yl)azetidin-3-yl]ethanesulfonamide
CID 130272394
1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
4-(2,4-dimethylpentan-2-yl)-1-(2-methylbutan-2-yl)piperidine
CID 153330318
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
2-methyl-N-[1-(2-methylbutan-2-yl)azetidin-3-yl]propanamide
CID 130272220
4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine
CID 166490165
1,1-diethyl-5-methyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
CID 162288868
3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine
CID 143176562
3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
CID 167292307

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylbutan-2-yl)azetidine?
The IUPAC name of 1,3-bis(2-methylbutan-2-yl)azetidine (CID 176964462) is 1,3-bis(2-methylbutan-2-yl)azetidine.
What is the SMILES notation for 1,3-bis(2-methylbutan-2-yl)azetidine?
The canonical SMILES for 1,3-bis(2-methylbutan-2-yl)azetidine is CCC(C)(C)C1CN(C(C)(C)CC)C1.
What is the InChIKey of 1,3-bis(2-methylbutan-2-yl)azetidine?
The InChIKey is WCDUGZNOCXOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-12(3,4)11-9-14(10-11)13(5,6)8-2/h11H,7-10H2,1-6H3.
What are the key properties of 1,3-bis(2-methylbutan-2-yl)azetidine?
1,3-bis(2-methylbutan-2-yl)azetidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylbutan-2-yl)azetidine is sourced from PubChem (CID 176964462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).