(3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine

C9H18F2N2 — CID 168786440

IUPAC(3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)[C@H]1CNC(C(F)F)C1
InChIInChI=1S/C9H18F2N2/c1-6(2)13(3)7-4-8(9(10)11)12-5-7/h6-9,12H,4-5H2,1-3H3/t7-,8?/m1/s1
InChIKeyLCBCYLPQEIGIFL-GVHYBUMESA-N
MW192.25 g/mol
LogP1.32
Rot. Bonds3

About (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine

(3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 168786440) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID168786440
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(C)[C@H]1CNC(C(F)F)C1
InChIInChI=1S/C9H18F2N2/c1-6(2)13(3)7-4-8(9(10)11)12-5-7/h6-9,12H,4-5H2,1-3H3/t7-,8?/m1/s1
InChIKeyLCBCYLPQEIGIFL-GVHYBUMESA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propan-2-ylcyclopropanamine
CID 21024125
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate
CID 125456848
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol
CID 124669253
N-methyl-6-methylidene-N-propan-2-ylpiperidin-3-amine
CID 166897877
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
CID 59459275
trans-(1R,2R)-N,2-dimethyl-N-propan-2-ylcyclopropan-1-amine
CID 172508156
N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane
CID 145168742
N,5-dimethyl-N-(4-methylpentan-2-yl)piperidin-3-amine
CID 115373442
1-[(3R,5R)-5-[bis(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-1,3-di(propan-2-yl)urea
CID 67813603

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 168786440) is (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(C)[C@H]1CNC(C(F)F)C1.
What is the InChIKey of (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is LCBCYLPQEIGIFL-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18F2N2/c1-6(2)13(3)7-4-8(9(10)11)12-5-7/h6-9,12H,4-5H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
(3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 192.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(difluoromethyl)-N-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 168786440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).