2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C13H26F6N2O4S2 — CID 87089412

IUPAC2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCC(C)C(C)(C)N.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H25N.C2HF6NO4S2/c1-5-6-7-8-9-10(2)11(3,4)12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,5-9,12H2,1-4H3;9H
InChIKeyFHXMBRZAIGOCSR-UHFFFAOYSA-N
MW452.48 g/mol
LogP3.61
Rot. Bonds8

About 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 87089412) has the molecular formula C13H26F6N2O4S2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID87089412
Molecular FormulaC13H26F6N2O4S2
Molecular Weight452.48 g/mol
Exact Mass452.12
IUPAC Name2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCCCCCC(C)C(C)(C)N.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H25N.C2HF6NO4S2/c1-5-6-7-8-9-10(2)11(3,4)12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,5-9,12H2,1-4H3;9H
InChIKeyFHXMBRZAIGOCSR-UHFFFAOYSA-N
XLogP3.61
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 87089412) is 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCCCCCC(C)C(C)(C)N.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is FHXMBRZAIGOCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C2HF6NO4S2/c1-5-6-7-8-9-10(2)11(3,4)12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,5-9,12H2,1-4H3;9H.
What are the key properties of 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 452.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylnonan-2-amine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 87089412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).