1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

C13H18F2N2 — CID 114216228

IUPAC1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)C1CCC(F)(F)C1
InChIInChI=1S/C13H18F2N2/c1-9-5-11(8-17-7-9)12(16-2)10-3-4-13(14,15)6-10/h5,7-8,10,12,16H,3-4,6H2,1-2H3
InChIKeyQZEYEOGSZFYIPU-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.09
Rot. Bonds3

About 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 114216228) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
PubChem CID114216228
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)C1CCC(F)(F)C1
InChIInChI=1S/C13H18F2N2/c1-9-5-11(8-17-7-9)12(16-2)10-3-4-13(14,15)6-10/h5,7-8,10,12,16H,3-4,6H2,1-2H3
InChIKeyQZEYEOGSZFYIPU-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (CID 114216228) is 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is CNC(c1cncc(C)c1)C1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is QZEYEOGSZFYIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-9-5-11(8-17-7-9)12(16-2)10-3-4-13(14,15)6-10/h5,7-8,10,12,16H,3-4,6H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 240.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 114216228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).