5,5-difluoro-N,1-dimethylazepan-4-amine

C8H16F2N2 — CID 178011139

IUPAC5,5-difluoro-N,1-dimethylazepan-4-amine
SMILESCNC1CCN(C)CCC1(F)F
InChIInChI=1S/C8H16F2N2/c1-11-7-3-5-12(2)6-4-8(7,9)10/h7,11H,3-6H2,1-2H3
InChIKeyWILMVNQXBCQRIA-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.94
Rot. Bonds1

About 5,5-difluoro-N,1-dimethylazepan-4-amine

5,5-difluoro-N,1-dimethylazepan-4-amine (PubChem CID 178011139) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5,5-difluoro-N,1-dimethylazepan-4-amine.

Molecular Properties

Compound Name5,5-difluoro-N,1-dimethylazepan-4-amine
PubChem CID178011139
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name5,5-difluoro-N,1-dimethylazepan-4-amine
SMILESCNC1CCN(C)CCC1(F)F
InChIInChI=1S/C8H16F2N2/c1-11-7-3-5-12(2)6-4-8(7,9)10/h7,11H,3-6H2,1-2H3
InChIKeyWILMVNQXBCQRIA-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylazepan-4-amine
CID 56698912
N,N-Dimethyl-4-azepanamine dihydrochloride
CID 75530974
N'-[3-(azepan-1-yl)propyl]-N-ethylpropane-1,3-diamine
CID 44321343
(Hexan-2-yl)(2,2,2-trifluoroethyl)amine
CID 43755070
1-Methylazepan-4-amine
CID 52911273
2,2,2-trifluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 61364891
1-N,3-N-dimethyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 62428332
1-N,1-N-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
CID 64554806
1-(2,2-Difluoroethyl)-3-methyl-1,4-diazepane
CID 64858810
N-ethyl-1,1,1-trifluorohexan-2-amine
CID 66206786
N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343735
1-N-methyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 81969881

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N,1-dimethylazepan-4-amine?
The IUPAC name of 5,5-difluoro-N,1-dimethylazepan-4-amine (CID 178011139) is 5,5-difluoro-N,1-dimethylazepan-4-amine.
What is the SMILES notation for 5,5-difluoro-N,1-dimethylazepan-4-amine?
The canonical SMILES for 5,5-difluoro-N,1-dimethylazepan-4-amine is CNC1CCN(C)CCC1(F)F.
What is the InChIKey of 5,5-difluoro-N,1-dimethylazepan-4-amine?
The InChIKey is WILMVNQXBCQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-11-7-3-5-12(2)6-4-8(7,9)10/h7,11H,3-6H2,1-2H3.
What are the key properties of 5,5-difluoro-N,1-dimethylazepan-4-amine?
5,5-difluoro-N,1-dimethylazepan-4-amine has a molecular weight of 178.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N,1-dimethylazepan-4-amine is sourced from PubChem (CID 178011139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).