3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine

C10H14F3N3 — CID 79954451

IUPAC3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine
SMILESCNC(CCC(F)(F)F)c1cccnc1N
InChIInChI=1S/C10H14F3N3/c1-15-8(4-5-10(11,12)13)7-3-2-6-16-9(7)14/h2-3,6,8,15H,4-5H2,1H3,(H2,14,16)
InChIKeyAHRLHLIZVRUOQX-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.27
Rot. Bonds4

About 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine

3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine (PubChem CID 79954451) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine
PubChem CID79954451
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine
SMILESCNC(CCC(F)(F)F)c1cccnc1N
InChIInChI=1S/C10H14F3N3/c1-15-8(4-5-10(11,12)13)7-3-2-6-16-9(7)14/h2-3,6,8,15H,4-5H2,1H3,(H2,14,16)
InChIKeyAHRLHLIZVRUOQX-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 106815072
3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
CID 65128801
3-(1-hydrazinyl-4-methylpentyl)pyridin-2-amine
CID 105207559
3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
CID 65144630
1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104992818
3-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 104540631
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
3-[1-(propan-2-ylamino)pentyl]pyridin-2-amine
CID 79412342
3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
CID 81231735
3-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 163672199
N,4-dimethyl-1-(2-methyl-3-pyridinyl)pentan-1-amine
CID 105126712
3-[1-hydrazinyl-2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
CID 105235141

Frequently Asked Questions

What is the IUPAC name of 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine?
The IUPAC name of 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine (CID 79954451) is 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine.
What is the SMILES notation for 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine?
The canonical SMILES for 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine is CNC(CCC(F)(F)F)c1cccnc1N.
What is the InChIKey of 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine?
The InChIKey is AHRLHLIZVRUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-15-8(4-5-10(11,12)13)7-3-2-6-16-9(7)14/h2-3,6,8,15H,4-5H2,1H3,(H2,14,16).
What are the key properties of 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine?
3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine has a molecular weight of 233.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine is sourced from PubChem (CID 79954451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).