[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine

C10H21FN2 — CID 147072230

IUPAC[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine
SMILESC[C@@H]1C[C@](F)(CN)CN1C(C)(C)C
InChIInChI=1S/C10H21FN2/c1-8-5-10(11,6-12)7-13(8)9(2,3)4/h8H,5-7,12H2,1-4H3/t8-,10+/m1/s1
InChIKeyBFGUWFIMHPVLOL-SCZZXKLOSA-N
MW188.29 g/mol
LogP1.55
Rot. Bonds1

About [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine

[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 147072230) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine
PubChem CID147072230
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine
SMILESC[C@@H]1C[C@](F)(CN)CN1C(C)(C)C
InChIInChI=1S/C10H21FN2/c1-8-5-10(11,6-12)7-13(8)9(2,3)4/h8H,5-7,12H2,1-4H3/t8-,10+/m1/s1
InChIKeyBFGUWFIMHPVLOL-SCZZXKLOSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-tert-butyl-4,4-difluoro-2-methylpyrrolidine;(2S)-1-tert-butyl-2-methylpyrrolidine
CID 159630663
6-tert-butyl-2,7-dimethyl-2,6-diazaspiro[3.4]octane
CID 168820419
(3R)-2-tert-butyl-3,7,9-trimethyl-6,10-dioxa-2-azaspiro[4.5]decane
CID 130397202
1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 155624492
1-tert-butyl-2-methylaziridine
CID 15557486
(3-fluoro-1-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 105431020
(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
CID 115022739
(5R)-4-tert-butyl-2,2,5-trimethylmorpholine
CID 168820806
(2S)-1-tert-butyl-2-ethynyl-4,4-difluoropyrrolidine
CID 157285289
4-tert-butyl-3,6,6-trimethyl-1,4-oxazepane
CID 155000461
(1R,5S)-2,3-ditert-butyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 126627824
[(1S,5S)-2-tert-butyl-3-propan-2-yl-2-azabicyclo[3.1.0]hexan-5-yl]methanamine
CID 135182755

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine (CID 147072230) is [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine is C[C@@H]1C[C@](F)(CN)CN1C(C)(C)C.
What is the InChIKey of [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is BFGUWFIMHPVLOL-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H21FN2/c1-8-5-10(11,6-12)7-13(8)9(2,3)4/h8H,5-7,12H2,1-4H3/t8-,10+/m1/s1.
What are the key properties of [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine?
[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 188.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 147072230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).