2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide

C10H23F3N2O2S — CID 87992492

IUPAC2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide
SMILESCCCCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H21N.CH2F3NO2S/c1-5-6-7-8(2)9(3,4)10;2-1(3,4)8(5,6)7/h8H,5-7,10H2,1-4H3;(H2,5,6,7)
InChIKeySLUOJOMCALPUQN-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.34
Rot. Bonds4

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

2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide (PubChem CID 87992492) has the molecular formula C10H23F3N2O2S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide.

Molecular Properties

Compound Name2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide
PubChem CID87992492
Molecular FormulaC10H23F3N2O2S
Molecular Weight292.37 g/mol
Exact Mass292.14
IUPAC Name2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide
SMILESCCCCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H21N.CH2F3NO2S/c1-5-6-7-8(2)9(3,4)10;2-1(3,4)8(5,6)7/h8H,5-7,10H2,1-4H3;(H2,5,6,7)
InChIKeySLUOJOMCALPUQN-UHFFFAOYSA-N
XLogP2.34
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide?
The IUPAC name of 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide (CID 87992492) is 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide.
What is the SMILES notation for 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide?
The canonical SMILES for 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide is CCCCC(C)C(C)(C)N.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide?
The InChIKey is SLUOJOMCALPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.CH2F3NO2S/c1-5-6-7-8(2)9(3,4)10;2-1(3,4)8(5,6)7/h8H,5-7,10H2,1-4H3;(H2,5,6,7).
What are the key properties of 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide?
2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide has a molecular weight of 292.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylheptan-2-amine;trifluoromethanesulfonamide is sourced from PubChem (CID 87992492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).