N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C13H20F3N3 — CID 55059635

IUPACN-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(CC)CC(F)(F)F)c1
InChIInChI=1S/C13H20F3N3/c1-3-6-17-9-11-5-7-18-12(8-11)19(4-2)10-13(14,15)16/h5,7-8,17H,3-4,6,9-10H2,1-2H3
InChIKeyITTCIWNCHUKWHN-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.97
Rot. Bonds7

About N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 55059635) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID55059635
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(CC)CC(F)(F)F)c1
InChIInChI=1S/C13H20F3N3/c1-3-6-17-9-11-5-7-18-12(8-11)19(4-2)10-13(14,15)16/h5,7-8,17H,3-4,6,9-10H2,1-2H3
InChIKeyITTCIWNCHUKWHN-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 62284795
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 62282319
N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
CID 62294939
N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 62285114
N-(cyclopropylmethyl)-N-ethyl-4-(ethylaminomethyl)pyridin-2-amine
CID 63940447
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284039
N-(2-methoxyethyl)-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 82952306
2-[2-chloro-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481491
2-[[4-(hydroxymethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484659
N-[[3-bromo-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 102769916
N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282660
N-[[2-[2-(diethylamino)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62296826

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 55059635) is N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CCCNCc1ccnc(N(CC)CC(F)(F)F)c1.
What is the InChIKey of N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is ITTCIWNCHUKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-3-6-17-9-11-5-7-18-12(8-11)19(4-2)10-13(14,15)16/h5,7-8,17H,3-4,6,9-10H2,1-2H3.
What are the key properties of N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 275.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 55059635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).