2-aminoacetaldehyde;molecular hydrogen;propane

C5H15NO — CID 162518471

IUPAC2-aminoacetaldehyde;molecular hydrogen;propane
SMILESCCC.NCC=O.[H][H]
InChIInChI=1S/C3H8.C2H5NO.H2/c1-3-2;3-1-2-4;/h3H2,1-2H3;2H,1,3H2;1H
InChIKeyHCWZWKCIMGPESU-UHFFFAOYSA-N
MW105.18 g/mol
LogP0.81
Rot. Bonds1

About 2-aminoacetaldehyde;molecular hydrogen;propane

2-aminoacetaldehyde;molecular hydrogen;propane (PubChem CID 162518471) has the molecular formula C5H15NO and a molecular weight of 105.18 g/mol. Its IUPAC name is 2-aminoacetaldehyde;molecular hydrogen;propane.

Molecular Properties

Compound Name2-aminoacetaldehyde;molecular hydrogen;propane
PubChem CID162518471
Molecular FormulaC5H15NO
Molecular Weight105.18 g/mol
Exact Mass105.12
IUPAC Name2-aminoacetaldehyde;molecular hydrogen;propane
SMILESCCC.NCC=O.[H][H]
InChIInChI=1S/C3H8.C2H5NO.H2/c1-3-2;3-1-2-4;/h3H2,1-2H3;2H,1,3H2;1H
InChIKeyHCWZWKCIMGPESU-UHFFFAOYSA-N
XLogP0.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetaldehyde;molecular hydrogen;propane?
The IUPAC name of 2-aminoacetaldehyde;molecular hydrogen;propane (CID 162518471) is 2-aminoacetaldehyde;molecular hydrogen;propane.
What is the SMILES notation for 2-aminoacetaldehyde;molecular hydrogen;propane?
The canonical SMILES for 2-aminoacetaldehyde;molecular hydrogen;propane is CCC.NCC=O.[H][H].
What is the InChIKey of 2-aminoacetaldehyde;molecular hydrogen;propane?
The InChIKey is HCWZWKCIMGPESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H5NO.H2/c1-3-2;3-1-2-4;/h3H2,1-2H3;2H,1,3H2;1H.
What are the key properties of 2-aminoacetaldehyde;molecular hydrogen;propane?
2-aminoacetaldehyde;molecular hydrogen;propane has a molecular weight of 105.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetaldehyde;molecular hydrogen;propane is sourced from PubChem (CID 162518471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).