[1-(2,2-difluoroethyl)azepan-3-yl]methanamine

C9H18F2N2 — CID 84664091

IUPAC[1-(2,2-difluoroethyl)azepan-3-yl]methanamine
SMILESNCC1CCCCN(CC(F)F)C1
InChIInChI=1S/C9H18F2N2/c10-9(11)7-13-4-2-1-3-8(5-12)6-13/h8-9H,1-7,12H2
InChIKeyJDWJGJZETFOSHC-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds3

About [1-(2,2-difluoroethyl)azepan-3-yl]methanamine

[1-(2,2-difluoroethyl)azepan-3-yl]methanamine (PubChem CID 84664091) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)azepan-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)azepan-3-yl]methanamine
PubChem CID84664091
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name[1-(2,2-difluoroethyl)azepan-3-yl]methanamine
SMILESNCC1CCCCN(CC(F)F)C1
InChIInChI=1S/C9H18F2N2/c10-9(11)7-13-4-2-1-3-8(5-12)6-13/h8-9H,1-7,12H2
InChIKeyJDWJGJZETFOSHC-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

3-[1-(2,2-difluoroethyl)piperidin-3-yl]propan-1-amine
CID 84674360
[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119031603
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
CID 115028625
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
(1-benzylazepan-3-yl)methanamine
CID 15718476
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)azepan-3-yl]methanamine?
The IUPAC name of [1-(2,2-difluoroethyl)azepan-3-yl]methanamine (CID 84664091) is [1-(2,2-difluoroethyl)azepan-3-yl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethyl)azepan-3-yl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethyl)azepan-3-yl]methanamine is NCC1CCCCN(CC(F)F)C1.
What is the InChIKey of [1-(2,2-difluoroethyl)azepan-3-yl]methanamine?
The InChIKey is JDWJGJZETFOSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c10-9(11)7-13-4-2-1-3-8(5-12)6-13/h8-9H,1-7,12H2.
What are the key properties of [1-(2,2-difluoroethyl)azepan-3-yl]methanamine?
[1-(2,2-difluoroethyl)azepan-3-yl]methanamine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)azepan-3-yl]methanamine is sourced from PubChem (CID 84664091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).