[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

C8H15F3N2 — CID 115486200

IUPAC[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-6-2-7(3-12)4-13(6)5-8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyDWKFIZGCIGBEMP-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.22
Rot. Bonds2

About [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (PubChem CID 115486200) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
PubChem CID115486200
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-6-2-7(3-12)4-13(6)5-8(9,10)11/h6-7H,2-5,12H2,1H3
InChIKeyDWKFIZGCIGBEMP-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 112703650
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120966626
[5-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120842986
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
CID 115486246
[1-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120966625
(5-methyl-1-pent-4-enylpyrrolidin-3-yl)methanamine
CID 115486286
[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486092
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120842955
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 113319941
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (CID 115486200) is [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is CC1CC(CN)CN1CC(F)(F)F.
What is the InChIKey of [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is DWKFIZGCIGBEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-6-2-7(3-12)4-13(6)5-8(9,10)11/h6-7H,2-5,12H2,1H3.
What are the key properties of [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 196.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).