2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine

C15H27F2N — CID 114225794

IUPAC2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
SMILESCNC(CC1CCC(F)(F)C1)C1(C)CCCCC1
InChIInChI=1S/C15H27F2N/c1-14(7-4-3-5-8-14)13(18-2)10-12-6-9-15(16,17)11-12/h12-13,18H,3-11H2,1-2H3
InChIKeyGNQSGHBLKBPUBS-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.37
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine

2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine (PubChem CID 114225794) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
PubChem CID114225794
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
SMILESCNC(CC1CCC(F)(F)C1)C1(C)CCCCC1
InChIInChI=1S/C15H27F2N/c1-14(7-4-3-5-8-14)13(18-2)10-12-6-9-15(16,17)11-12/h12-13,18H,3-11H2,1-2H3
InChIKeyGNQSGHBLKBPUBS-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine (CID 114225794) is 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine is CNC(CC1CCC(F)(F)C1)C1(C)CCCCC1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is GNQSGHBLKBPUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-14(7-4-3-5-8-14)13(18-2)10-12-6-9-15(16,17)11-12/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 259.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 114225794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).