(2S)-2-(dibenzylamino)-3-methylbutanal

C19H23NO — CID 11140543

IUPAC(2S)-2-(dibenzylamino)-3-methylbutanal
SMILESCC(C)[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16(2)19(15-21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t19-/m1/s1
InChIKeyDIWXTXXLVBAUFO-LJQANCHMSA-N
MW281.40 g/mol
LogP3.91
Rot. Bonds7

About (2S)-2-(dibenzylamino)-3-methylbutanal

(2S)-2-(dibenzylamino)-3-methylbutanal (PubChem CID 11140543) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-3-methylbutanal.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-3-methylbutanal
PubChem CID11140543
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2S)-2-(dibenzylamino)-3-methylbutanal
SMILESCC(C)[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16(2)19(15-21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t19-/m1/s1
InChIKeyDIWXTXXLVBAUFO-LJQANCHMSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.91
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)-3-methylbutanal?
The IUPAC name of (2S)-2-(dibenzylamino)-3-methylbutanal (CID 11140543) is (2S)-2-(dibenzylamino)-3-methylbutanal.
What is the SMILES notation for (2S)-2-(dibenzylamino)-3-methylbutanal?
The canonical SMILES for (2S)-2-(dibenzylamino)-3-methylbutanal is CC(C)[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-3-methylbutanal?
The InChIKey is DIWXTXXLVBAUFO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(2)19(15-21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of (2S)-2-(dibenzylamino)-3-methylbutanal?
(2S)-2-(dibenzylamino)-3-methylbutanal has a molecular weight of 281.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-3-methylbutanal is sourced from PubChem (CID 11140543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).