3-[methyl(propyl)amino]propanal

C7H15NO — CID 63039583

IUPAC3-[methyl(propyl)amino]propanal
SMILESCCCN(C)CCC=O
InChIInChI=1S/C7H15NO/c1-3-5-8(2)6-4-7-9/h7H,3-6H2,1-2H3
InChIKeyZELXJWGBXSJJQP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.92
Rot. Bonds5

About 3-[methyl(propyl)amino]propanal

3-[methyl(propyl)amino]propanal (PubChem CID 63039583) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]propanal.

Molecular Properties

Compound Name3-[methyl(propyl)amino]propanal
PubChem CID63039583
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-[methyl(propyl)amino]propanal
SMILESCCCN(C)CCC=O
InChIInChI=1S/C7H15NO/c1-3-5-8(2)6-4-7-9/h7H,3-6H2,1-2H3
InChIKeyZELXJWGBXSJJQP-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
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 3-[methyl(propyl)amino]propanal?
The IUPAC name of 3-[methyl(propyl)amino]propanal (CID 63039583) is 3-[methyl(propyl)amino]propanal.
What is the SMILES notation for 3-[methyl(propyl)amino]propanal?
The canonical SMILES for 3-[methyl(propyl)amino]propanal is CCCN(C)CCC=O.
What is the InChIKey of 3-[methyl(propyl)amino]propanal?
The InChIKey is ZELXJWGBXSJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-5-8(2)6-4-7-9/h7H,3-6H2,1-2H3.
What are the key properties of 3-[methyl(propyl)amino]propanal?
3-[methyl(propyl)amino]propanal has a molecular weight of 129.20 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]propanal is sourced from PubChem (CID 63039583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).