(2S)-2-(dibenzylamino)propanal

C17H19NO — CID 11107860

IUPAC(2S)-2-(dibenzylamino)propanal
SMILESC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3/t15-/m0/s1
InChIKeyGFYXFRCVQSKSDO-HNNXBMFYSA-N
MW253.35 g/mol
LogP3.28
Rot. Bonds6

About (2S)-2-(dibenzylamino)propanal

(2S)-2-(dibenzylamino)propanal (PubChem CID 11107860) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)propanal.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)propanal
PubChem CID11107860
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2S)-2-(dibenzylamino)propanal
SMILESC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3/t15-/m0/s1
InChIKeyGFYXFRCVQSKSDO-HNNXBMFYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.28
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 (2S)-2-(dibenzylamino)propanal?
The IUPAC name of (2S)-2-(dibenzylamino)propanal (CID 11107860) is (2S)-2-(dibenzylamino)propanal.
What is the SMILES notation for (2S)-2-(dibenzylamino)propanal?
The canonical SMILES for (2S)-2-(dibenzylamino)propanal is C[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)propanal?
The InChIKey is GFYXFRCVQSKSDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19NO/c1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)propanal?
(2S)-2-(dibenzylamino)propanal has a molecular weight of 253.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)propanal is sourced from PubChem (CID 11107860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).