methanamine;2-methylpropanal

C5H13NO — CID 23509049

IUPACmethanamine;2-methylpropanal
SMILESCC(C)C=O.CN
InChIInChI=1S/C4H8O.CH5N/c1-4(2)3-5;1-2/h3-4H,1-2H3;2H2,1H3
InChIKeyANZRWLUUQINUSZ-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.42
Rot. Bonds1

About methanamine;2-methylpropanal

methanamine;2-methylpropanal (PubChem CID 23509049) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is methanamine;2-methylpropanal.

Molecular Properties

Compound Namemethanamine;2-methylpropanal
PubChem CID23509049
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Namemethanamine;2-methylpropanal
SMILESCC(C)C=O.CN
InChIInChI=1S/C4H8O.CH5N/c1-4(2)3-5;1-2/h3-4H,1-2H3;2H2,1H3
InChIKeyANZRWLUUQINUSZ-UHFFFAOYSA-N
XLogP0.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.42
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;2-methylpropanal?
The IUPAC name of methanamine;2-methylpropanal (CID 23509049) is methanamine;2-methylpropanal.
What is the SMILES notation for methanamine;2-methylpropanal?
The canonical SMILES for methanamine;2-methylpropanal is CC(C)C=O.CN.
What is the InChIKey of methanamine;2-methylpropanal?
The InChIKey is ANZRWLUUQINUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH5N/c1-4(2)3-5;1-2/h3-4H,1-2H3;2H2,1H3.
What are the key properties of methanamine;2-methylpropanal?
methanamine;2-methylpropanal has a molecular weight of 103.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methylpropanal is sourced from PubChem (CID 23509049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).