ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine

C16H26F3N3 — CID 145433484

IUPACethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine
SMILESC=CNC.CC.Cc1cc(N2CCCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2.C3H7N.C2H6/c1-8-6-9(11(12,13)14)15-10(7-8)16-4-2-3-5-16;1-3-4-2;1-2/h6-7H,2-5H2,1H3;3-4H,1H2,2H3;1-2H3
InChIKeyMBDQFSYLSAFGMV-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.38
Rot. Bonds2

About ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine

ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine (PubChem CID 145433484) has the molecular formula C16H26F3N3 and a molecular weight of 317.40 g/mol. Its IUPAC name is ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine
PubChem CID145433484
Molecular FormulaC16H26F3N3
Molecular Weight317.40 g/mol
Exact Mass317.21
IUPAC Nameethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine
SMILESC=CNC.CC.Cc1cc(N2CCCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2.C3H7N.C2H6/c1-8-6-9(11(12,13)14)15-10(7-8)16-4-2-3-5-16;1-3-4-2;1-2/h6-7H,2-5H2,1H3;3-4H,1H2,2H3;1-2H3
InChIKeyMBDQFSYLSAFGMV-UHFFFAOYSA-N
XLogP4.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine (CID 145433484) is ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine is C=CNC.CC.Cc1cc(N2CCCC2)nc(C(F)(F)F)c1.
What is the InChIKey of ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine?
The InChIKey is MBDQFSYLSAFGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2.C3H7N.C2H6/c1-8-6-9(11(12,13)14)15-10(7-8)16-4-2-3-5-16;1-3-4-2;1-2/h6-7H,2-5H2,1H3;3-4H,1H2,2H3;1-2H3.
What are the key properties of ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine?
ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine has a molecular weight of 317.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylethenamine;4-methyl-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 145433484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).