N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine

C15H24F3N3 — CID 106906020

IUPACN-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C15H24F3N3/c1-4-8-19-9-13-6-5-7-14(20-13)10-21(12(2)3)11-15(16,17)18/h5-7,12,19H,4,8-11H2,1-3H3
InChIKeyXYPVPFZMNFTOBJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.35
Rot. Bonds8

About N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine

N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106906020) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106906020
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C15H24F3N3/c1-4-8-19-9-13-6-5-7-14(20-13)10-21(12(2)3)11-15(16,17)18/h5-7,12,19H,4,8-11H2,1-3H3
InChIKeyXYPVPFZMNFTOBJ-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906995
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906024
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106906050
N-[[6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908474
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908609
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
N-[[6-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906183
N-[[6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906373
6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243620

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106906020) is N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(CN(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is XYPVPFZMNFTOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-4-8-19-9-13-6-5-7-14(20-13)10-21(12(2)3)11-15(16,17)18/h5-7,12,19H,4,8-11H2,1-3H3.
What are the key properties of N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106906020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).