ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine

C16H26F3N3 — CID 144986362

IUPACethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine
SMILESCC.Cc1cnc(NC2CN(CC(F)(F)F)C2)cc1C(C)C
InChIInChI=1S/C14H20F3N3.C2H6/c1-9(2)12-4-13(18-5-10(12)3)19-11-6-20(7-11)8-14(15,16)17;1-2/h4-5,9,11H,6-8H2,1-3H3,(H,18,19);1-2H3
InChIKeyBGECRSVOEIWFOZ-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.20
Rot. Bonds4

About ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine

ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine (PubChem CID 144986362) has the molecular formula C16H26F3N3 and a molecular weight of 317.40 g/mol. Its IUPAC name is ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Nameethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine
PubChem CID144986362
Molecular FormulaC16H26F3N3
Molecular Weight317.40 g/mol
Exact Mass317.21
IUPAC Nameethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine
SMILESCC.Cc1cnc(NC2CN(CC(F)(F)F)C2)cc1C(C)C
InChIInChI=1S/C14H20F3N3.C2H6/c1-9(2)12-4-13(18-5-10(12)3)19-11-6-20(7-11)8-14(15,16)17;1-2/h4-5,9,11H,6-8H2,1-3H3,(H,18,19);1-2H3
InChIKeyBGECRSVOEIWFOZ-UHFFFAOYSA-N
XLogP4.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine with MolForge

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Related Compounds

N-(azetidin-3-yl)-5-methyl-4-propan-2-ylpyridin-2-amine
CID 171586283
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060
N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184370
N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine
CID 170045205
4-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 118362521
5-(difluoromethoxy)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 97160979
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 129368242
N-methyl-1-(2,2,2-trifluoroethyl)azetidin-3-amine
CID 84652953
3-methyl-2-[6-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284533
1-methyl-4-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 133464234

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine?
The IUPAC name of ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine (CID 144986362) is ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine.
What is the SMILES notation for ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine?
The canonical SMILES for ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine is CC.Cc1cnc(NC2CN(CC(F)(F)F)C2)cc1C(C)C.
What is the InChIKey of ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine?
The InChIKey is BGECRSVOEIWFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3.C2H6/c1-9(2)12-4-13(18-5-10(12)3)19-11-6-20(7-11)8-14(15,16)17;1-2/h4-5,9,11H,6-8H2,1-3H3,(H,18,19);1-2H3.
What are the key properties of ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine?
ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine has a molecular weight of 317.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 144986362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).