(3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine

C9H19FN2 — CID 143715149

IUPAC(3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine
SMILESC[C@H](F)C[C@@]1(N)CN(C)C[C@H]1C
InChIInChI=1S/C9H19FN2/c1-7-5-12(3)6-9(7,11)4-8(2)10/h7-8H,4-6,11H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyZMCMCSVEBDQJSN-HRDYMLBCSA-N
MW174.26 g/mol
LogP1.01
Rot. Bonds2

About (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine

(3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine (PubChem CID 143715149) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine
PubChem CID143715149
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine
SMILESC[C@H](F)C[C@@]1(N)CN(C)C[C@H]1C
InChIInChI=1S/C9H19FN2/c1-7-5-12(3)6-9(7,11)4-8(2)10/h7-8H,4-6,11H2,1-3H3/t7-,8+,9-/m1/s1
InChIKeyZMCMCSVEBDQJSN-HRDYMLBCSA-N
XLogP1.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetra-methyl-3-aminopyrrolidine
CID 129818670
1-(4-Fluoro-1-methylpyrrolidin-3-yl)cyclopropan-1-amine
CID 20763633
4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine
CID 67974946
(1R,5R,7S)-7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172507
(1S,5R,6S)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172512
(1S,5R,6R)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172533
3-(Fluoromethyl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 115014373
3-Ethyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-amine
CID 117706296
3-Ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine
CID 117709649
(3S,4S)-1,2-ditert-butyl-4-fluoropyrrolidin-3-amine
CID 126627823
(3R,4S)-1,2-ditert-butyl-4-fluoropyrrolidin-3-amine
CID 126627827
(2R)-3-fluoro-2-methyl-2-propan-2-ylpyrrolidine
CID 126641522

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine (CID 143715149) is (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine is C[C@H](F)C[C@@]1(N)CN(C)C[C@H]1C.
What is the InChIKey of (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine?
The InChIKey is ZMCMCSVEBDQJSN-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7-5-12(3)6-9(7,11)4-8(2)10/h7-8H,4-6,11H2,1-3H3/t7-,8+,9-/m1/s1.
What are the key properties of (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine?
(3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine has a molecular weight of 174.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2S)-2-fluoropropyl]-1,4-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 143715149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).