2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine

C16H25N — CID 66467187

IUPAC2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine
SMILESCc1cc(C)c(C2(C(C)C)CCCN2)cc1C
InChIInChI=1S/C16H25N/c1-11(2)16(7-6-8-17-16)15-10-13(4)12(3)9-14(15)5/h9-11,17H,6-8H2,1-5H3
InChIKeyNFHZSJNALOYEMX-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.85
Rot. Bonds2

About 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine

2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine (PubChem CID 66467187) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine
PubChem CID66467187
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine
SMILESCc1cc(C)c(C2(C(C)C)CCCN2)cc1C
InChIInChI=1S/C16H25N/c1-11(2)16(7-6-8-17-16)15-10-13(4)12(3)9-14(15)5/h9-11,17H,6-8H2,1-5H3
InChIKeyNFHZSJNALOYEMX-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine?
The IUPAC name of 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine (CID 66467187) is 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine.
What is the SMILES notation for 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine?
The canonical SMILES for 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine is Cc1cc(C)c(C2(C(C)C)CCCN2)cc1C.
What is the InChIKey of 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine?
The InChIKey is NFHZSJNALOYEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)16(7-6-8-17-16)15-10-13(4)12(3)9-14(15)5/h9-11,17H,6-8H2,1-5H3.
What are the key properties of 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine?
2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine has a molecular weight of 231.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-(2,4,5-trimethylphenyl)pyrrolidine is sourced from PubChem (CID 66467187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).