3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine

C11H23FN2 — CID 70646114

IUPAC3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine
SMILESCC(C)(C)C1CCN(CC(F)CN)C1
InChIInChI=1S/C11H23FN2/c1-11(2,3)9-4-5-14(7-9)8-10(12)6-13/h9-10H,4-8,13H2,1-3H3
InChIKeyGAIQHTLVKUPNSQ-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.65
Rot. Bonds3

About 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine

3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine (PubChem CID 70646114) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine
PubChem CID70646114
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine
SMILESCC(C)(C)C1CCN(CC(F)CN)C1
InChIInChI=1S/C11H23FN2/c1-11(2,3)9-4-5-14(7-9)8-10(12)6-13/h9-10H,4-8,13H2,1-3H3
InChIKeyGAIQHTLVKUPNSQ-UHFFFAOYSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine?
The IUPAC name of 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine (CID 70646114) is 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine is CC(C)(C)C1CCN(CC(F)CN)C1.
What is the InChIKey of 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine?
The InChIKey is GAIQHTLVKUPNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-11(2,3)9-4-5-14(7-9)8-10(12)6-13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine?
3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine has a molecular weight of 202.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylpyrrolidin-1-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 70646114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).