2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide

C12H27F3N2O2S — CID 87992178

IUPAC2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide
SMILESCCCCCCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H25N.CH2F3NO2S/c1-5-6-7-8-9-10(2)11(3,4)12;2-1(3,4)8(5,6)7/h10H,5-9,12H2,1-4H3;(H2,5,6,7)
InChIKeyKVQXYLWPMNQXGN-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.12
Rot. Bonds6

About 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide

2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide (PubChem CID 87992178) has the molecular formula C12H27F3N2O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide.

Molecular Properties

Compound Name2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide
PubChem CID87992178
Molecular FormulaC12H27F3N2O2S
Molecular Weight320.42 g/mol
Exact Mass320.17
IUPAC Name2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide
SMILESCCCCCCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H25N.CH2F3NO2S/c1-5-6-7-8-9-10(2)11(3,4)12;2-1(3,4)8(5,6)7/h10H,5-9,12H2,1-4H3;(H2,5,6,7)
InChIKeyKVQXYLWPMNQXGN-UHFFFAOYSA-N
XLogP3.12
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;trifluoromethanesulfonamide?
The IUPAC name of 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide (CID 87992178) is 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide.
What is the SMILES notation for 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide?
The canonical SMILES for 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide is CCCCCCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide?
The InChIKey is KVQXYLWPMNQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.CH2F3NO2S/c1-5-6-7-8-9-10(2)11(3,4)12;2-1(3,4)8(5,6)7/h10H,5-9,12H2,1-4H3;(H2,5,6,7).
What are the key properties of 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide?
2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylnonan-2-amine;trifluoromethanesulfonamide is sourced from PubChem (CID 87992178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).