N-(azepan-2-ylmethyl)-2,2-difluoroethanamine

C9H18F2N2 — CID 115407441

IUPACN-(azepan-2-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CCCCCN1
InChIInChI=1S/C9H18F2N2/c10-9(11)7-12-6-8-4-2-1-3-5-13-8/h8-9,12-13H,1-7H2
InChIKeyBSSWQVRNURIPNQ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.37
Rot. Bonds4

About N-(azepan-2-ylmethyl)-2,2-difluoroethanamine

N-(azepan-2-ylmethyl)-2,2-difluoroethanamine (PubChem CID 115407441) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-2,2-difluoroethanamine
PubChem CID115407441
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC NameN-(azepan-2-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CCCCCN1
InChIInChI=1S/C9H18F2N2/c10-9(11)7-12-6-8-4-2-1-3-5-13-8/h8-9,12-13H,1-7H2
InChIKeyBSSWQVRNURIPNQ-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83143388
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
3-[(piperidin-2-ylmethylamino)methyl]pentan-1-ol
CID 106634139
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
2-ethyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 106632956
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
N-(azepan-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113327737

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(azepan-2-ylmethyl)-2,2-difluoroethanamine (CID 115407441) is N-(azepan-2-ylmethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(azepan-2-ylmethyl)-2,2-difluoroethanamine is FC(F)CNCC1CCCCCN1.
What is the InChIKey of N-(azepan-2-ylmethyl)-2,2-difluoroethanamine?
The InChIKey is BSSWQVRNURIPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c10-9(11)7-12-6-8-4-2-1-3-5-13-8/h8-9,12-13H,1-7H2.
What are the key properties of N-(azepan-2-ylmethyl)-2,2-difluoroethanamine?
N-(azepan-2-ylmethyl)-2,2-difluoroethanamine has a molecular weight of 192.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 115407441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).