3-ethylpentan-3-amine;methanesulfonic acid

C8H21NO3S — CID 173149974

IUPAC3-ethylpentan-3-amine;methanesulfonic acid
SMILESCCC(N)(CC)CC.CS(=O)(=O)O
InChIInChI=1S/C7H17N.CH4O3S/c1-4-7(8,5-2)6-3;1-5(2,3)4/h4-6,8H2,1-3H3;1H3,(H,2,3,4)
InChIKeyXPFCEYIASGSVON-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.42
Rot. Bonds3

About 3-ethylpentan-3-amine;methanesulfonic acid

3-ethylpentan-3-amine;methanesulfonic acid (PubChem CID 173149974) has the molecular formula C8H21NO3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-ethylpentan-3-amine;methanesulfonic acid.

Molecular Properties

Compound Name3-ethylpentan-3-amine;methanesulfonic acid
PubChem CID173149974
Molecular FormulaC8H21NO3S
Molecular Weight211.33 g/mol
Exact Mass211.12
IUPAC Name3-ethylpentan-3-amine;methanesulfonic acid
SMILESCCC(N)(CC)CC.CS(=O)(=O)O
InChIInChI=1S/C7H17N.CH4O3S/c1-4-7(8,5-2)6-3;1-5(2,3)4/h4-6,8H2,1-3H3;1H3,(H,2,3,4)
InChIKeyXPFCEYIASGSVON-UHFFFAOYSA-N
XLogP1.42
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-3-amine;methanesulfonic acid?
The IUPAC name of 3-ethylpentan-3-amine;methanesulfonic acid (CID 173149974) is 3-ethylpentan-3-amine;methanesulfonic acid.
What is the SMILES notation for 3-ethylpentan-3-amine;methanesulfonic acid?
The canonical SMILES for 3-ethylpentan-3-amine;methanesulfonic acid is CCC(N)(CC)CC.CS(=O)(=O)O.
What is the InChIKey of 3-ethylpentan-3-amine;methanesulfonic acid?
The InChIKey is XPFCEYIASGSVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.CH4O3S/c1-4-7(8,5-2)6-3;1-5(2,3)4/h4-6,8H2,1-3H3;1H3,(H,2,3,4).
What are the key properties of 3-ethylpentan-3-amine;methanesulfonic acid?
3-ethylpentan-3-amine;methanesulfonic acid has a molecular weight of 211.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-3-amine;methanesulfonic acid is sourced from PubChem (CID 173149974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).