N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid

C9H23NO3S — CID 15403830

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid
SMILESCCN(C(C)C)C(C)C.CS(=O)(=O)O
InChIInChI=1S/C8H19N.CH4O3S/c1-6-9(7(2)3)8(4)5;1-5(2,3)4/h7-8H,6H2,1-5H3;1H3,(H,2,3,4)
InChIKeyOSPCEJOFBRYKFX-UHFFFAOYSA-N
MW225.35 g/mol
LogP1.63
Rot. Bonds3

About N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid

N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid (PubChem CID 15403830) has the molecular formula C9H23NO3S and a molecular weight of 225.35 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid
PubChem CID15403830
Molecular FormulaC9H23NO3S
Molecular Weight225.35 g/mol
Exact Mass225.14
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid
SMILESCCN(C(C)C)C(C)C.CS(=O)(=O)O
InChIInChI=1S/C8H19N.CH4O3S/c1-6-9(7(2)3)8(4)5;1-5(2,3)4/h7-8H,6H2,1-5H3;1H3,(H,2,3,4)
InChIKeyOSPCEJOFBRYKFX-UHFFFAOYSA-N
XLogP1.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
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 N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid (CID 15403830) is N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid is CCN(C(C)C)C(C)C.CS(=O)(=O)O.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid?
The InChIKey is OSPCEJOFBRYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.CH4O3S/c1-6-9(7(2)3)8(4)5;1-5(2,3)4/h7-8H,6H2,1-5H3;1H3,(H,2,3,4).
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid?
N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid has a molecular weight of 225.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;methanesulfonic acid is sourced from PubChem (CID 15403830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).