N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine

C12H24F2N2 — CID 176600925

IUPACN-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1NCCC1(F)F)C(C)(C)C
InChIInChI=1S/C12H24F2N2/c1-9(2)16(11(3,4)5)8-10-12(13,14)6-7-15-10/h9-10,15H,6-8H2,1-5H3
InChIKeyMZLCFEPKNPIZMU-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.49
Rot. Bonds3

About N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine

N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine (PubChem CID 176600925) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
PubChem CID176600925
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC NameN-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1NCCC1(F)F)C(C)(C)C
InChIInChI=1S/C12H24F2N2/c1-9(2)16(11(3,4)5)8-10-12(13,14)6-7-15-10/h9-10,15H,6-8H2,1-5H3
InChIKeyMZLCFEPKNPIZMU-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
CID 176601714
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 176601263
2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601617
5-[[tert-butyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176600937
2-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601955
N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176601004
1-[2-(4,4-difluoropiperidin-3-yl)ethyl]-1-propan-2-ylhydrazine
CID 146376028
3,3-dimethyl-2-(2-methylpropyl)pyrrolidine
CID 62753360
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634
5-[2-[tert-butyl(propan-2-yl)amino]ethyl]pyrrolidin-3-ol
CID 176601408
2,3-diethyl-3-propan-2-ylpyrrolidine
CID 62354581
4,4-difluoro-2-(2-methylpropyl)piperidine
CID 84767422

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine (CID 176600925) is N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine is CC(C)N(CC1NCCC1(F)F)C(C)(C)C.
What is the InChIKey of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine?
The InChIKey is MZLCFEPKNPIZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-9(2)16(11(3,4)5)8-10-12(13,14)6-7-15-10/h9-10,15H,6-8H2,1-5H3.
What are the key properties of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine?
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 176600925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).