3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine

C17H27N — CID 130439558

IUPAC3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1C1CN(C)C(C)C1C(C)(C)C
InChIInChI=1S/C17H27N/c1-12-9-7-8-10-14(12)15-11-18(6)13(2)16(15)17(3,4)5/h7-10,13,15-16H,11H2,1-6H3
InChIKeyZUDOXYMCIIQIPM-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.07
Rot. Bonds1

About 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine

3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine (PubChem CID 130439558) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine
PubChem CID130439558
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine
SMILESCc1ccccc1C1CN(C)C(C)C1C(C)(C)C
InChIInChI=1S/C17H27N/c1-12-9-7-8-10-14(12)15-11-18(6)13(2)16(15)17(3,4)5/h7-10,13,15-16H,11H2,1-6H3
InChIKeyZUDOXYMCIIQIPM-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine?
The IUPAC name of 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine (CID 130439558) is 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine?
The canonical SMILES for 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine is Cc1ccccc1C1CN(C)C(C)C1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine?
The InChIKey is ZUDOXYMCIIQIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-9-7-8-10-14(12)15-11-18(6)13(2)16(15)17(3,4)5/h7-10,13,15-16H,11H2,1-6H3.
What are the key properties of 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine?
3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine has a molecular weight of 245.41 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine is sourced from PubChem (CID 130439558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).