N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine

C8H16F2N2 — CID 115406076

IUPACN-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NCC(F)F)CN1C
InChIInChI=1S/C8H16F2N2/c1-6-3-7(5-12(6)2)11-4-8(9)10/h6-8,11H,3-5H2,1-2H3
InChIKeySAGMZWWJFNXZRA-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.93
Rot. Bonds3

About N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine

N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 115406076) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID115406076
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NCC(F)F)CN1C
InChIInChI=1S/C8H16F2N2/c1-6-3-7(5-12(6)2)11-4-8(9)10/h6-8,11H,3-5H2,1-2H3
InChIKeySAGMZWWJFNXZRA-UHFFFAOYSA-N
XLogP0.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
CID 103906633
N-(2-methoxypropyl)-1,5-dimethylpyrrolidin-3-amine
CID 102696242
1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine
CID 81344474
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-methylpropanenitrile
CID 81467144
1-cyclopentyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanol
CID 115890584
1-(dimethylamino)-3-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
CID 115718067
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide
CID 106171661
1,5-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115712930
2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
CID 83993383
1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol
CID 115723479
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756
N-decyl-1,5-dimethylpyrrolidin-3-amine
CID 81467256

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine (CID 115406076) is N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(NCC(F)F)CN1C.
What is the InChIKey of N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is SAGMZWWJFNXZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-6-3-7(5-12(6)2)11-4-8(9)10/h6-8,11H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine?
N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 178.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 115406076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).