5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C15H24F3N3 — CID 62282303

IUPAC5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccc(N(CC(F)(F)F)C(C)C)nc1
InChIInChI=1S/C15H24F3N3/c1-11(2)7-19-8-13-5-6-14(20-9-13)21(12(3)4)10-15(16,17)18/h5-6,9,11-12,19H,7-8,10H2,1-4H3
InChIKeyNPRMFHKVDWNWFJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.60
Rot. Bonds7

About 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 62282303) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID62282303
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccc(N(CC(F)(F)F)C(C)C)nc1
InChIInChI=1S/C15H24F3N3/c1-11(2)7-19-8-13-5-6-14(20-9-13)21(12(3)4)10-15(16,17)18/h5-6,9,11-12,19H,7-8,10H2,1-4H3
InChIKeyNPRMFHKVDWNWFJ-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284039
2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481548
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 82960066
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638531
2-methyl-N-[[6-(2-methylpropylsulfanyl)-3-pyridinyl]methyl]propan-1-amine
CID 80639485
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456
6-(ethylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62282477
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 81057672
N-[(6-butan-2-ylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639372
6-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
CID 62282476

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 62282303) is 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CC(C)CNCc1ccc(N(CC(F)(F)F)C(C)C)nc1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is NPRMFHKVDWNWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-11(2)7-19-8-13-5-6-14(20-9-13)21(12(3)4)10-15(16,17)18/h5-6,9,11-12,19H,7-8,10H2,1-4H3.
What are the key properties of 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 62282303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).