1-benzyl-3-tert-butyl-2,2-dimethylazetidine

C16H25N — CID 563397

IUPAC1-benzyl-3-tert-butyl-2,2-dimethylazetidine
SMILESCC(C)(C)C1CN(Cc2ccccc2)C1(C)C
InChIInChI=1S/C16H25N/c1-15(2,3)14-12-17(16(14,4)5)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3
InChIKeyFMCVPLJPSGGKLH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.94
Rot. Bonds2

About 1-benzyl-3-tert-butyl-2,2-dimethylazetidine

1-benzyl-3-tert-butyl-2,2-dimethylazetidine (PubChem CID 563397) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-2,2-dimethylazetidine.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-2,2-dimethylazetidine
PubChem CID563397
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-benzyl-3-tert-butyl-2,2-dimethylazetidine
SMILESCC(C)(C)C1CN(Cc2ccccc2)C1(C)C
InChIInChI=1S/C16H25N/c1-15(2,3)14-12-17(16(14,4)5)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3
InChIKeyFMCVPLJPSGGKLH-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(5S)-1-benzyl-2,2,5-trimethylpiperazine
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1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
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1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol
CID 163246812
1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine
CID 11087372
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
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(2R,4R)-1-benzyl-4-bromo-2-methyl-2-phenylpyrrolidine
CID 10892860

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-2,2-dimethylazetidine?
The IUPAC name of 1-benzyl-3-tert-butyl-2,2-dimethylazetidine (CID 563397) is 1-benzyl-3-tert-butyl-2,2-dimethylazetidine.
What is the SMILES notation for 1-benzyl-3-tert-butyl-2,2-dimethylazetidine?
The canonical SMILES for 1-benzyl-3-tert-butyl-2,2-dimethylazetidine is CC(C)(C)C1CN(Cc2ccccc2)C1(C)C.
What is the InChIKey of 1-benzyl-3-tert-butyl-2,2-dimethylazetidine?
The InChIKey is FMCVPLJPSGGKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-15(2,3)14-12-17(16(14,4)5)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3.
What are the key properties of 1-benzyl-3-tert-butyl-2,2-dimethylazetidine?
1-benzyl-3-tert-butyl-2,2-dimethylazetidine has a molecular weight of 231.38 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-2,2-dimethylazetidine is sourced from PubChem (CID 563397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).