1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine

C15H31FN2 — CID 146435538

IUPAC1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1[C@H](F)C[C@@H](C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C15H31FN2/c1-14(2,3)13-9-11(16)12(10-17(7)8)18(13)15(4,5)6/h11-13H,9-10H2,1-8H3/t11-,12?,13+/m1/s1
InChIKeyXCUZNDNNKXTWQM-YPHAAILGSA-N
MW258.42 g/mol
LogP3.17
Rot. Bonds2

About 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 146435538) has the molecular formula C15H31FN2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID146435538
Molecular FormulaC15H31FN2
Molecular Weight258.42 g/mol
Exact Mass258.25
IUPAC Name1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1[C@H](F)C[C@@H](C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C15H31FN2/c1-14(2,3)13-9-11(16)12(10-17(7)8)18(13)15(4,5)6/h11-13H,9-10H2,1-8H3/t11-,12?,13+/m1/s1
InChIKeyXCUZNDNNKXTWQM-YPHAAILGSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine
CID 155064910
1,2-ditert-butyl-4-fluoropyrrolidine
CID 58185605
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
CID 21132217
1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 130204302
1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 155624492
(2S,3aS,6aS)-1,2-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2S,3aS,7aS)-1,2-ditert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 159306478
1,5-ditert-butyl-3-fluoropyrrolidin-2-one
CID 118330057
4-tert-butyl-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylcyclohexan-1-amine
CID 62887147
3,4-ditert-butyl-5-ethylmorpholine
CID 70884419
(2S,6S)-1,4-ditert-butyl-2,6-dimethylpiperidine
CID 164846076
(3R,4S)-1-tert-butyl-4-fluoro-N,N-dimethylpyrrolidin-3-amine
CID 130301851
(4,5-ditert-butylmorpholin-3-yl)methanol
CID 148550763

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 146435538) is 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1[C@H](F)C[C@@H](C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is XCUZNDNNKXTWQM-YPHAAILGSA-N. The full InChI is InChI=1S/C15H31FN2/c1-14(2,3)13-9-11(16)12(10-17(7)8)18(13)15(4,5)6/h11-13H,9-10H2,1-8H3/t11-,12?,13+/m1/s1.
What are the key properties of 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 258.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-1,5-ditert-butyl-3-fluoropyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 146435538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).