1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine

C11H23FN2 — CID 58365064

IUPAC1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine
SMILESCC(C)(C)N1CCC(NCCCF)C1
InChIInChI=1S/C11H23FN2/c1-11(2,3)14-8-5-10(9-14)13-7-4-6-12/h10,13H,4-9H2,1-3H3
InChIKeyBSPKBAQFNVBEOB-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.81
Rot. Bonds4

About 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine

1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine (PubChem CID 58365064) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine
PubChem CID58365064
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine
SMILESCC(C)(C)N1CCC(NCCCF)C1
InChIInChI=1S/C11H23FN2/c1-11(2,3)14-8-5-10(9-14)13-7-4-6-12/h10,13H,4-9H2,1-3H3
InChIKeyBSPKBAQFNVBEOB-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine (CID 58365064) is 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine is CC(C)(C)N1CCC(NCCCF)C1.
What is the InChIKey of 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine?
The InChIKey is BSPKBAQFNVBEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-11(2,3)14-8-5-10(9-14)13-7-4-6-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine?
1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine has a molecular weight of 202.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(3-fluoropropyl)pyrrolidin-3-amine is sourced from PubChem (CID 58365064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).