3-(pentylamino)propanal

C8H17NO — CID 58674908

IUPAC3-(pentylamino)propanal
SMILESCCCCCNCCC=O
InChIInChI=1S/C8H17NO/c1-2-3-4-6-9-7-5-8-10/h8-9H,2-7H2,1H3
InChIKeyQVTOKMLPEOPKNH-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.36
Rot. Bonds7

About 3-(pentylamino)propanal

3-(pentylamino)propanal (PubChem CID 58674908) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(pentylamino)propanal.

Molecular Properties

Compound Name3-(pentylamino)propanal
PubChem CID58674908
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(pentylamino)propanal
SMILESCCCCCNCCC=O
InChIInChI=1S/C8H17NO/c1-2-3-4-6-9-7-5-8-10/h8-9H,2-7H2,1H3
InChIKeyQVTOKMLPEOPKNH-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.36
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 3-(pentylamino)propanal?
The IUPAC name of 3-(pentylamino)propanal (CID 58674908) is 3-(pentylamino)propanal.
What is the SMILES notation for 3-(pentylamino)propanal?
The canonical SMILES for 3-(pentylamino)propanal is CCCCCNCCC=O.
What is the InChIKey of 3-(pentylamino)propanal?
The InChIKey is QVTOKMLPEOPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-6-9-7-5-8-10/h8-9H,2-7H2,1H3.
What are the key properties of 3-(pentylamino)propanal?
3-(pentylamino)propanal has a molecular weight of 143.23 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)propanal is sourced from PubChem (CID 58674908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).