3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine

C17H27N — CID 79452141

IUPAC3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
SMILESCc1cc(C)c(CC2(CC(C)C)CNC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12(2)8-17(10-18-11-17)9-16-14(4)6-13(3)7-15(16)5/h6-7,12,18H,8-11H2,1-5H3
InChIKeyCPLZKXIOYZEZQX-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.79
Rot. Bonds4

About 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine

3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine (PubChem CID 79452141) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
PubChem CID79452141
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
SMILESCc1cc(C)c(CC2(CC(C)C)CNC2)c(C)c1
InChIInChI=1S/C17H27N/c1-12(2)8-17(10-18-11-17)9-16-14(4)6-13(3)7-15(16)5/h6-7,12,18H,8-11H2,1-5H3
InChIKeyCPLZKXIOYZEZQX-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine?
The IUPAC name of 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine (CID 79452141) is 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine.
What is the SMILES notation for 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine?
The canonical SMILES for 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine is Cc1cc(C)c(CC2(CC(C)C)CNC2)c(C)c1.
What is the InChIKey of 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine?
The InChIKey is CPLZKXIOYZEZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)8-17(10-18-11-17)9-16-14(4)6-13(3)7-15(16)5/h6-7,12,18H,8-11H2,1-5H3.
What are the key properties of 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine?
3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine has a molecular weight of 245.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine is sourced from PubChem (CID 79452141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).