1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine

C18H35FN2 — CID 138562974

IUPAC1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine
SMILESCC1CC(CC(C)(C)N2CCC(F)C2)C(C)N1C(C)(C)C
InChIInChI=1S/C18H35FN2/c1-13-10-15(14(2)21(13)17(3,4)5)11-18(6,7)20-9-8-16(19)12-20/h13-16H,8-12H2,1-7H3
InChIKeyPNPDEFNXMKQTOY-UHFFFAOYSA-N
MW298.49 g/mol
LogP4.10
Rot. Bonds3

About 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine

1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine (PubChem CID 138562974) has the molecular formula C18H35FN2 and a molecular weight of 298.49 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine
PubChem CID138562974
Molecular FormulaC18H35FN2
Molecular Weight298.49 g/mol
Exact Mass298.28
IUPAC Name1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine
SMILESCC1CC(CC(C)(C)N2CCC(F)C2)C(C)N1C(C)(C)C
InChIInChI=1S/C18H35FN2/c1-13-10-15(14(2)21(13)17(3,4)5)11-18(6,7)20-9-8-16(19)12-20/h13-16H,8-12H2,1-7H3
InChIKeyPNPDEFNXMKQTOY-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine?
The IUPAC name of 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine (CID 138562974) is 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine?
The canonical SMILES for 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine is CC1CC(CC(C)(C)N2CCC(F)C2)C(C)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine?
The InChIKey is PNPDEFNXMKQTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2/c1-13-10-15(14(2)21(13)17(3,4)5)11-18(6,7)20-9-8-16(19)12-20/h13-16H,8-12H2,1-7H3.
What are the key properties of 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine?
1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine has a molecular weight of 298.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(3-fluoropyrrolidin-1-yl)-2-methylpropyl]-2,5-dimethylpyrrolidine is sourced from PubChem (CID 138562974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).