2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine

C9H18F2N2 — CID 84772418

IUPAC2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine
SMILESCN1CCC(CCN)C(F)(F)CC1
InChIInChI=1S/C9H18F2N2/c1-13-6-3-8(2-5-12)9(10,11)4-7-13/h8H,2-7,12H2,1H3
InChIKeyZGPUTSNYWJIQRO-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds2

About 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine

2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine (PubChem CID 84772418) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine
PubChem CID84772418
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine
SMILESCN1CCC(CCN)C(F)(F)CC1
InChIInChI=1S/C9H18F2N2/c1-13-6-3-8(2-5-12)9(10,11)4-7-13/h8H,2-7,12H2,1H3
InChIKeyZGPUTSNYWJIQRO-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine?
The IUPAC name of 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine (CID 84772418) is 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine.
What is the SMILES notation for 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine?
The canonical SMILES for 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine is CN1CCC(CCN)C(F)(F)CC1.
What is the InChIKey of 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine?
The InChIKey is ZGPUTSNYWJIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-13-6-3-8(2-5-12)9(10,11)4-7-13/h8H,2-7,12H2,1H3.
What are the key properties of 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine?
2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine is sourced from PubChem (CID 84772418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).