ethanamine;formic acid;toluene

C10H17NO2 — CID 155783408

IUPACethanamine;formic acid;toluene
SMILESCCN.Cc1ccccc1.O=CO
InChIInChI=1S/C7H8.C2H7N.CH2O2/c1-7-5-3-2-4-6-7;1-2-3;2-1-3/h2-6H,1H3;2-3H2,1H3;1H,(H,2,3)
InChIKeyDHEKFDCXDAWYPJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.66
Rot. Bonds

About ethanamine;formic acid;toluene

ethanamine;formic acid;toluene (PubChem CID 155783408) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethanamine;formic acid;toluene.

Molecular Properties

Compound Nameethanamine;formic acid;toluene
PubChem CID155783408
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethanamine;formic acid;toluene
SMILESCCN.Cc1ccccc1.O=CO
InChIInChI=1S/C7H8.C2H7N.CH2O2/c1-7-5-3-2-4-6-7;1-2-3;2-1-3/h2-6H,1H3;2-3H2,1H3;1H,(H,2,3)
InChIKeyDHEKFDCXDAWYPJ-UHFFFAOYSA-N
XLogP1.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanamine;formic acid;toluene?
The IUPAC name of ethanamine;formic acid;toluene (CID 155783408) is ethanamine;formic acid;toluene.
What is the SMILES notation for ethanamine;formic acid;toluene?
The canonical SMILES for ethanamine;formic acid;toluene is CCN.Cc1ccccc1.O=CO.
What is the InChIKey of ethanamine;formic acid;toluene?
The InChIKey is DHEKFDCXDAWYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C2H7N.CH2O2/c1-7-5-3-2-4-6-7;1-2-3;2-1-3/h2-6H,1H3;2-3H2,1H3;1H,(H,2,3).
What are the key properties of ethanamine;formic acid;toluene?
ethanamine;formic acid;toluene has a molecular weight of 183.25 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;formic acid;toluene is sourced from PubChem (CID 155783408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).