N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine

C10H13F3N2 — CID 118889339

IUPACN-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1=CC(CNC2CC2)=CCN1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)9-5-7(3-4-14-9)6-15-8-1-2-8/h3,5,8,14-15H,1-2,4,6H2
InChIKeyCXQLKANOLXHGSU-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.71
Rot. Bonds3

About N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine

N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine (PubChem CID 118889339) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine
PubChem CID118889339
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1=CC(CNC2CC2)=CCN1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)9-5-7(3-4-14-9)6-15-8-1-2-8/h3,5,8,14-15H,1-2,4,6H2
InChIKeyCXQLKANOLXHGSU-UHFFFAOYSA-N
XLogP1.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine (CID 118889339) is N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine is FC(F)(F)C1=CC(CNC2CC2)=CCN1.
What is the InChIKey of N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine?
The InChIKey is CXQLKANOLXHGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)9-5-7(3-4-14-9)6-15-8-1-2-8/h3,5,8,14-15H,1-2,4,6H2.
What are the key properties of N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine?
N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine has a molecular weight of 218.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-1,2-dihydropyridin-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 118889339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).