ethanamine;methane;propanoic acid

C6H17NO2 — CID 159582357

IUPACethanamine;methane;propanoic acid
SMILESC.CCC(=O)O.CCN
InChIInChI=1S/C3H6O2.C2H7N.CH4/c1-2-3(4)5;1-2-3;/h2H2,1H3,(H,4,5);2-3H2,1H3;1H4
InChIKeyMJEJERGICSGILB-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.08
Rot. Bonds1

About ethanamine;methane;propanoic acid

ethanamine;methane;propanoic acid (PubChem CID 159582357) has the molecular formula C6H17NO2 and a molecular weight of 135.21 g/mol. Its IUPAC name is ethanamine;methane;propanoic acid.

Molecular Properties

Compound Nameethanamine;methane;propanoic acid
PubChem CID159582357
Molecular FormulaC6H17NO2
Molecular Weight135.21 g/mol
Exact Mass135.13
IUPAC Nameethanamine;methane;propanoic acid
SMILESC.CCC(=O)O.CCN
InChIInChI=1S/C3H6O2.C2H7N.CH4/c1-2-3(4)5;1-2-3;/h2H2,1H3,(H,4,5);2-3H2,1H3;1H4
InChIKeyMJEJERGICSGILB-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanamine;methane;propanoic acid?
The IUPAC name of ethanamine;methane;propanoic acid (CID 159582357) is ethanamine;methane;propanoic acid.
What is the SMILES notation for ethanamine;methane;propanoic acid?
The canonical SMILES for ethanamine;methane;propanoic acid is C.CCC(=O)O.CCN.
What is the InChIKey of ethanamine;methane;propanoic acid?
The InChIKey is MJEJERGICSGILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H7N.CH4/c1-2-3(4)5;1-2-3;/h2H2,1H3,(H,4,5);2-3H2,1H3;1H4.
What are the key properties of ethanamine;methane;propanoic acid?
ethanamine;methane;propanoic acid has a molecular weight of 135.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;methane;propanoic acid is sourced from PubChem (CID 159582357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).