2-aminoacetaldehyde;ethane

C6H17NO — CID 142042838

IUPAC2-aminoacetaldehyde;ethane
SMILESCC.CC.NCC=O
InChIInChI=1S/C2H5NO.2C2H6/c3-1-2-4;2*1-2/h2H,1,3H2;2*1-2H3
InChIKeyZJHFEWOYNGEEGV-UHFFFAOYSA-N
MW119.21 g/mol
LogP1.20
Rot. Bonds1

About 2-aminoacetaldehyde;ethane

2-aminoacetaldehyde;ethane (PubChem CID 142042838) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is 2-aminoacetaldehyde;ethane.

Molecular Properties

Compound Name2-aminoacetaldehyde;ethane
PubChem CID142042838
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Name2-aminoacetaldehyde;ethane
SMILESCC.CC.NCC=O
InChIInChI=1S/C2H5NO.2C2H6/c3-1-2-4;2*1-2/h2H,1,3H2;2*1-2H3
InChIKeyZJHFEWOYNGEEGV-UHFFFAOYSA-N
XLogP1.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
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 2-aminoacetaldehyde;ethane?
The IUPAC name of 2-aminoacetaldehyde;ethane (CID 142042838) is 2-aminoacetaldehyde;ethane.
What is the SMILES notation for 2-aminoacetaldehyde;ethane?
The canonical SMILES for 2-aminoacetaldehyde;ethane is CC.CC.NCC=O.
What is the InChIKey of 2-aminoacetaldehyde;ethane?
The InChIKey is ZJHFEWOYNGEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.2C2H6/c3-1-2-4;2*1-2/h2H,1,3H2;2*1-2H3.
What are the key properties of 2-aminoacetaldehyde;ethane?
2-aminoacetaldehyde;ethane has a molecular weight of 119.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;ethane is sourced from PubChem (CID 142042838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).