4-(dimethylamino)butanal;methanamine

C7H18N2O — CID 143016014

IUPAC4-(dimethylamino)butanal;methanamine
SMILESCN.CN(C)CCCC=O
InChIInChI=1S/C6H13NO.CH5N/c1-7(2)5-3-4-6-8;1-2/h6H,3-5H2,1-2H3;2H2,1H3
InChIKeyVBCOIKISDNAIQL-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.10
Rot. Bonds4

About 4-(dimethylamino)butanal;methanamine

4-(dimethylamino)butanal;methanamine (PubChem CID 143016014) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-(dimethylamino)butanal;methanamine.

Molecular Properties

Compound Name4-(dimethylamino)butanal;methanamine
PubChem CID143016014
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name4-(dimethylamino)butanal;methanamine
SMILESCN.CN(C)CCCC=O
InChIInChI=1S/C6H13NO.CH5N/c1-7(2)5-3-4-6-8;1-2/h6H,3-5H2,1-2H3;2H2,1H3
InChIKeyVBCOIKISDNAIQL-UHFFFAOYSA-N
XLogP0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butanal;methanamine?
The IUPAC name of 4-(dimethylamino)butanal;methanamine (CID 143016014) is 4-(dimethylamino)butanal;methanamine.
What is the SMILES notation for 4-(dimethylamino)butanal;methanamine?
The canonical SMILES for 4-(dimethylamino)butanal;methanamine is CN.CN(C)CCCC=O.
What is the InChIKey of 4-(dimethylamino)butanal;methanamine?
The InChIKey is VBCOIKISDNAIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.CH5N/c1-7(2)5-3-4-6-8;1-2/h6H,3-5H2,1-2H3;2H2,1H3.
What are the key properties of 4-(dimethylamino)butanal;methanamine?
4-(dimethylamino)butanal;methanamine has a molecular weight of 146.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butanal;methanamine is sourced from PubChem (CID 143016014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).