bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine

C13H25F6N2O4S2- — CID 159813378

IUPACbis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
SMILESCCCCC(CC)CCCCN.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H25N.C2F6NO4S2/c1-3-5-8-11(4-2)9-6-7-10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10,12H2,1-2H3;/q;-1
InChIKeyNLHSVRFSVZYFRU-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.39
Rot. Bonds10

About bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine

bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine (PubChem CID 159813378) has the molecular formula C13H25F6N2O4S2- and a molecular weight of 451.48 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
PubChem CID159813378
Molecular FormulaC13H25F6N2O4S2-
Molecular Weight451.48 g/mol
Exact Mass451.12
IUPAC Namebis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
SMILESCCCCC(CC)CCCCN.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H25N.C2F6NO4S2/c1-3-5-8-11(4-2)9-6-7-10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10,12H2,1-2H3;/q;-1
InChIKeyNLHSVRFSVZYFRU-UHFFFAOYSA-N
XLogP4.39
TPSA108.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N-[7-(trifluoromethylsulfonylamino)heptyl]methanesulfonamide
CID 14663465
2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089412
N-(2,7-dimethyloctyl)-1,1,1-trifluoromethanesulfonamide
CID 88893591
N-[6-amino-4-(2-aminoethyl)hexyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 90962469
Octadecan-1-amine;bis(trifluoromethanesulfonamide)
CID 118481612
N-(6-amino-2-ethylheptyl)-1,1,1-trifluoromethanesulfonamide
CID 121432266
N-(2-cyclohexylethyl)-1,1,1-trifluoromethanesulfonamide
CID 126625569
Tetradecylammonium bis(trifluoromethanesulfonyl)imide
CID 131741979
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 139465938
Bis(trifluoromethylsulfonyl)azanide;hexylazanium
CID 141148407
Bis(trifluoromethylsulfonyl)azanide;heptylazanium
CID 141148409

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine (CID 159813378) is bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine is CCCCC(CC)CCCCN.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine?
The InChIKey is NLHSVRFSVZYFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C2F6NO4S2/c1-3-5-8-11(4-2)9-6-7-10-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,3-10,12H2,1-2H3;/q;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine?
bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine has a molecular weight of 451.48 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine is sourced from PubChem (CID 159813378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).