N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine

C13H26F2N2 — CID 176601263

IUPACN-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(CCC1NCCC1(F)F)C(C)C
InChIInChI=1S/C13H26F2N2/c1-10(2)9-17(11(3)4)8-5-12-13(14,15)6-7-16-12/h10-12,16H,5-9H2,1-4H3
InChIKeyZYBPXGMPFKJHLV-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine

N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 176601263) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID176601263
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC NameN-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(CCC1NCCC1(F)F)C(C)C
InChIInChI=1S/C13H26F2N2/c1-10(2)9-17(11(3)4)8-5-12-13(14,15)6-7-16-12/h10-12,16H,5-9H2,1-4H3
InChIKeyZYBPXGMPFKJHLV-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601617
2-methyl-N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 176601781
2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601165
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-2-amine
CID 176600925
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopentanamine
CID 176601714
2-methyl-N-(2-piperidin-4-ylsulfanylethyl)-N-propan-2-ylpropan-1-amine
CID 114628447
N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176601004
1-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 64682462
1-[2-(4,4-difluoropiperidin-3-yl)ethyl]-1-propan-2-ylhydrazine
CID 146376028
3,3-dimethyl-2-(2-methylpropyl)pyrrolidine
CID 62753360
N-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pentan-3-amine
CID 79483878
2-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-3-thione
CID 176601014

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 176601263) is N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)CN(CCC1NCCC1(F)F)C(C)C.
What is the InChIKey of N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ZYBPXGMPFKJHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-10(2)9-17(11(3)4)8-5-12-13(14,15)6-7-16-12/h10-12,16H,5-9H2,1-4H3.
What are the key properties of N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine?
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 248.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 176601263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).