3-(dodecylamino)propanal

C15H31NO — CID 19937303

IUPAC3-(dodecylamino)propanal
SMILESCCCCCCCCCCCCNCCC=O
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17/h15-16H,2-14H2,1H3
InChIKeyRGRFRNZUWGRBBK-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.09
Rot. Bonds14

About 3-(dodecylamino)propanal

3-(dodecylamino)propanal (PubChem CID 19937303) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(dodecylamino)propanal.

Molecular Properties

Compound Name3-(dodecylamino)propanal
PubChem CID19937303
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-(dodecylamino)propanal
SMILESCCCCCCCCCCCCNCCC=O
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17/h15-16H,2-14H2,1H3
InChIKeyRGRFRNZUWGRBBK-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.09
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-(dodecylamino)propanal?
The IUPAC name of 3-(dodecylamino)propanal (CID 19937303) is 3-(dodecylamino)propanal.
What is the SMILES notation for 3-(dodecylamino)propanal?
The canonical SMILES for 3-(dodecylamino)propanal is CCCCCCCCCCCCNCCC=O.
What is the InChIKey of 3-(dodecylamino)propanal?
The InChIKey is RGRFRNZUWGRBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17/h15-16H,2-14H2,1H3.
What are the key properties of 3-(dodecylamino)propanal?
3-(dodecylamino)propanal has a molecular weight of 241.42 g/mol, XLogP of 4.09, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecylamino)propanal is sourced from PubChem (CID 19937303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).