2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine

C17H27N — CID 66466930

IUPAC2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCCCC1(Cc2c(C)cc(C)cc2C)CCCN1
InChIInChI=1S/C17H27N/c1-5-7-17(8-6-9-18-17)12-16-14(3)10-13(2)11-15(16)4/h10-11,18H,5-9,12H2,1-4H3
InChIKeyLGBDZUYVTXNJLQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.08
Rot. Bonds4

About 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine

2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (PubChem CID 66466930) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
PubChem CID66466930
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCCCC1(Cc2c(C)cc(C)cc2C)CCCN1
InChIInChI=1S/C17H27N/c1-5-7-17(8-6-9-18-17)12-16-14(3)10-13(2)11-15(16)4/h10-11,18H,5-9,12H2,1-4H3
InChIKeyLGBDZUYVTXNJLQ-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (CID 66466930) is 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine is CCCC1(Cc2c(C)cc(C)cc2C)CCCN1.
What is the InChIKey of 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The InChIKey is LGBDZUYVTXNJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-7-17(8-6-9-18-17)12-16-14(3)10-13(2)11-15(16)4/h10-11,18H,5-9,12H2,1-4H3.
What are the key properties of 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine has a molecular weight of 245.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 66466930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).