(4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine

C9H16F2N2 — CID 144615672

IUPAC(4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCC1C(N)=NC(C(F)F)C[C@H]1C
InChIInChI=1S/C9H16F2N2/c1-3-6-5(2)4-7(8(10)11)13-9(6)12/h5-8H,3-4H2,1-2H3,(H2,12,13)/t5-,6?,7?/m1/s1
InChIKeyWNGOUPFXSFOUOY-GRQBKTHUSA-N
MW190.24 g/mol
LogP2.04
Rot. Bonds2

About (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine

(4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 144615672) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name(4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID144615672
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCC1C(N)=NC(C(F)F)C[C@H]1C
InChIInChI=1S/C9H16F2N2/c1-3-6-5(2)4-7(8(10)11)13-9(6)12/h5-8H,3-4H2,1-2H3,(H2,12,13)/t5-,6?,7?/m1/s1
InChIKeyWNGOUPFXSFOUOY-GRQBKTHUSA-N
XLogP2.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine (CID 144615672) is (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine is CCC1C(N)=NC(C(F)F)C[C@H]1C.
What is the InChIKey of (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is WNGOUPFXSFOUOY-GRQBKTHUSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-3-6-5(2)4-7(8(10)11)13-9(6)12/h5-8H,3-4H2,1-2H3,(H2,12,13)/t5-,6?,7?/m1/s1.
What are the key properties of (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine?
(4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 190.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(difluoromethyl)-5-ethyl-4-methyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 144615672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).