bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium

C15H30F6N2O4S2 — CID 158232505

IUPACbis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium
SMILESCCCCCCC([NH3+])(C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H29N.C2F6NO4S2/c1-6-7-8-9-10-13(14,11(2)3)12(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-12H,6-10,14H2,1-5H3;/q;-1/p+1
InChIKeyGEOAOFZQTNSGEF-UHFFFAOYSA-O
MW480.54 g/mol
LogP4.31
Rot. Bonds9

About bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium

bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium (PubChem CID 158232505) has the molecular formula C15H30F6N2O4S2 and a molecular weight of 480.54 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium
PubChem CID158232505
Molecular FormulaC15H30F6N2O4S2
Molecular Weight480.54 g/mol
Exact Mass480.16
IUPAC Namebis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium
SMILESCCCCCCC([NH3+])(C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H29N.C2F6NO4S2/c1-6-7-8-9-10-13(14,11(2)3)12(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-12H,6-10,14H2,1-5H3;/q;-1/p+1
InChIKeyGEOAOFZQTNSGEF-UHFFFAOYSA-O
XLogP4.31
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dibutylundecan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089399
5,6-dibutyldodecan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089410
2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089412
5,6-dibutyldecan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 87089649
(2-Amino-2,3-dimethylheptan-4-ylidene)-bis(trifluoromethylsulfonyl)azanium
CID 87649329
2,3-Dimethylnonan-2-amine;trifluoromethanesulfonamide
CID 87992178
2,3-Dimethylheptan-2-amine;trifluoromethanesulfonamide
CID 87992492
2,3-Dimethylheptan-2-ylimino-bis(trifluoromethylsulfonyl)azanium
CID 90188873
N-(2,3-dimethylheptan-2-yl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 118514417
5-butylnonan-5-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 139465938
1,1,1-trifluoro-N-(2-methylcycloheptyl)methanesulfonamide;1,1,1-trifluoro-N-methylmethanesulfonamide
CID 143893293
Bis(trifluoromethylsulfonyl)azanide;5-ethylnonan-1-amine
CID 159813378

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium (CID 158232505) is bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium is CCCCCCC([NH3+])(C(C)C)C(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium?
The InChIKey is GEOAOFZQTNSGEF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H29N.C2F6NO4S2/c1-6-7-8-9-10-13(14,11(2)3)12(4)5;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11-12H,6-10,14H2,1-5H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium?
bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium has a molecular weight of 480.54 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;(2-methyl-3-propan-2-ylnonan-3-yl)azanium is sourced from PubChem (CID 158232505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).