4-(propylamino)butanal

C7H15NO — CID 15628492

IUPAC4-(propylamino)butanal
SMILESCCCNCCCC=O
InChIInChI=1S/C7H15NO/c1-2-5-8-6-3-4-7-9/h7-8H,2-6H2,1H3
InChIKeyHFWZFWYXXJEXBN-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.97
Rot. Bonds6

About 4-(propylamino)butanal

4-(propylamino)butanal (PubChem CID 15628492) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-(propylamino)butanal.

Molecular Properties

Compound Name4-(propylamino)butanal
PubChem CID15628492
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-(propylamino)butanal
SMILESCCCNCCCC=O
InChIInChI=1S/C7H15NO/c1-2-5-8-6-3-4-7-9/h7-8H,2-6H2,1H3
InChIKeyHFWZFWYXXJEXBN-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(propylamino)butanal?
The IUPAC name of 4-(propylamino)butanal (CID 15628492) is 4-(propylamino)butanal.
What is the SMILES notation for 4-(propylamino)butanal?
The canonical SMILES for 4-(propylamino)butanal is CCCNCCCC=O.
What is the InChIKey of 4-(propylamino)butanal?
The InChIKey is HFWZFWYXXJEXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-5-8-6-3-4-7-9/h7-8H,2-6H2,1H3.
What are the key properties of 4-(propylamino)butanal?
4-(propylamino)butanal has a molecular weight of 129.20 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)butanal is sourced from PubChem (CID 15628492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).