(3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine

C10H17F3N2 — CID 167064829

IUPAC(3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(CC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C10H17F3N2/c1-14-8-2-5-15(6-8)7-9(3-4-9)10(11,12)13/h8,14H,2-7H2,1H3/t8-/m1/s1
InChIKeyXHHFWQIVGCYZCH-MRVPVSSYSA-N
MW222.25 g/mol
LogP1.62
Rot. Bonds3

About (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine

(3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine (PubChem CID 167064829) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine
PubChem CID167064829
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name(3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine
SMILESCN[C@@H]1CCN(CC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C10H17F3N2/c1-14-8-2-5-15(6-8)7-9(3-4-9)10(11,12)13/h8,14H,2-7H2,1H3/t8-/m1/s1
InChIKeyXHHFWQIVGCYZCH-MRVPVSSYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate
CID 175578159
4-ethyl-1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidine
CID 155470209
(3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine
CID 71647901
1-[3-(methylamino)pyrrolidin-1-yl]butan-2-ol
CID 115300562
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119905819
1-ethyl-N-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine
CID 106210468
ethane;N-methyl-1-(3-methylbutyl)pyrrolidin-3-amine
CID 166168128
N-methyl-1-[1-(trifluoromethyl)cyclopropyl]piperidin-4-amine;hydrochloride
CID 175417285
N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine
CID 115300548
N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
CID 84652953
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine (CID 167064829) is (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine is CN[C@@H]1CCN(CC2(C(F)(F)F)CC2)C1.
What is the InChIKey of (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine?
The InChIKey is XHHFWQIVGCYZCH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-14-8-2-5-15(6-8)7-9(3-4-9)10(11,12)13/h8,14H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine?
(3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine has a molecular weight of 222.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 167064829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).