methanamine;propanal

C4H11NO — CID 143363560

IUPACmethanamine;propanal
SMILESCCC=O.CN
InChIInChI=1S/C3H6O.CH5N/c1-2-3-4;1-2/h3H,2H2,1H3;2H2,1H3
InChIKeyOEAAVIDFVRCSNL-UHFFFAOYSA-N
MW89.14 g/mol
LogP0.17
Rot. Bonds1

About methanamine;propanal

methanamine;propanal (PubChem CID 143363560) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is methanamine;propanal.

Molecular Properties

Compound Namemethanamine;propanal
PubChem CID143363560
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Namemethanamine;propanal
SMILESCCC=O.CN
InChIInChI=1S/C3H6O.CH5N/c1-2-3-4;1-2/h3H,2H2,1H3;2H2,1H3
InChIKeyOEAAVIDFVRCSNL-UHFFFAOYSA-N
XLogP0.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.17
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 methanamine;propanal?
The IUPAC name of methanamine;propanal (CID 143363560) is methanamine;propanal.
What is the SMILES notation for methanamine;propanal?
The canonical SMILES for methanamine;propanal is CCC=O.CN.
What is the InChIKey of methanamine;propanal?
The InChIKey is OEAAVIDFVRCSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH5N/c1-2-3-4;1-2/h3H,2H2,1H3;2H2,1H3.
What are the key properties of methanamine;propanal?
methanamine;propanal has a molecular weight of 89.14 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;propanal is sourced from PubChem (CID 143363560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).