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

C15H22F3N3 — CID 106906024

IUPACN-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)N(Cc1cccc(CNC2CC2)n1)CC(F)(F)F
InChIInChI=1S/C15H22F3N3/c1-11(2)21(10-15(16,17)18)9-14-5-3-4-13(20-14)8-19-12-6-7-12/h3-5,11-12,19H,6-10H2,1-2H3
InChIKeyOJHBGYFRMJNVGR-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.11
Rot. Bonds7

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

N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106906024) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106906024
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC NameN-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)N(Cc1cccc(CNC2CC2)n1)CC(F)(F)F
InChIInChI=1S/C15H22F3N3/c1-11(2)21(10-15(16,17)18)9-14-5-3-4-13(20-14)8-19-12-6-7-12/h3-5,11-12,19H,6-10H2,1-2H3
InChIKeyOJHBGYFRMJNVGR-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906020
N-[[6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906060
N-[[6-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106907080
N-[[1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62428767
N-[[6-[[3-methoxypropyl(methyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906493
N-[[6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906508
N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907736
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[[6-(3-methylbutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62290331
6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine
CID 102700710
N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62292133
6-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 62294639

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106906024) is N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine is CC(C)N(Cc1cccc(CNC2CC2)n1)CC(F)(F)F.
What is the InChIKey of N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is OJHBGYFRMJNVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-11(2)21(10-15(16,17)18)9-14-5-3-4-13(20-14)8-19-12-6-7-12/h3-5,11-12,19H,6-10H2,1-2H3.
What are the key properties of N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 301.36 g/mol, XLogP of 3.11, 7 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]cyclopropanamine is sourced from PubChem (CID 106906024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).