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

C18H29N — CID 66468109

IUPAC2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(CC2(C(C)(C)C)CCCN2)c(C)c1
InChIInChI=1S/C18H29N/c1-13-10-14(2)16(15(3)11-13)12-18(17(4,5)6)8-7-9-19-18/h10-11,19H,7-9,12H2,1-6H3
InChIKeyRMMPLPNUOCLTDP-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.32
Rot. Bonds2

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

2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (PubChem CID 66468109) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
PubChem CID66468109
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
SMILESCc1cc(C)c(CC2(C(C)(C)C)CCCN2)c(C)c1
InChIInChI=1S/C18H29N/c1-13-10-14(2)16(15(3)11-13)12-18(17(4,5)6)8-7-9-19-18/h10-11,19H,7-9,12H2,1-6H3
InChIKeyRMMPLPNUOCLTDP-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine (CID 66468109) is 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine is Cc1cc(C)c(CC2(C(C)(C)C)CCCN2)c(C)c1.
What is the InChIKey of 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
The InChIKey is RMMPLPNUOCLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-10-14(2)16(15(3)11-13)12-18(17(4,5)6)8-7-9-19-18/h10-11,19H,7-9,12H2,1-6H3.
What are the key properties of 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine?
2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine has a molecular weight of 259.44 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 66468109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).