2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine

C20H41N — CID 155188608

IUPAC2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine
SMILESCC(C)C1C(C(C)C)C(C(C)(C)C(C)C)N(C)C1C(C)C
InChIInChI=1S/C20H41N/c1-12(2)16-17(13(3)4)19(20(9,10)15(7)8)21(11)18(16)14(5)6/h12-19H,1-11H3
InChIKeyBOMLJNMICBMMGG-UHFFFAOYSA-N
MW295.56 g/mol
LogP5.55
Rot. Bonds5

About 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine

2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine (PubChem CID 155188608) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine
PubChem CID155188608
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine
SMILESCC(C)C1C(C(C)C)C(C(C)(C)C(C)C)N(C)C1C(C)C
InChIInChI=1S/C20H41N/c1-12(2)16-17(13(3)4)19(20(9,10)15(7)8)21(11)18(16)14(5)6/h12-19H,1-11H3
InChIKeyBOMLJNMICBMMGG-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine (CID 155188608) is 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine is CC(C)C1C(C(C)C)C(C(C)(C)C(C)C)N(C)C1C(C)C.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine?
The InChIKey is BOMLJNMICBMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-12(2)16-17(13(3)4)19(20(9,10)15(7)8)21(11)18(16)14(5)6/h12-19H,1-11H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine?
2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine has a molecular weight of 295.56 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)-1-methyl-3,4,5-tri(propan-2-yl)pyrrolidine is sourced from PubChem (CID 155188608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).