2-(dibenzylamino)-4-methylpentanal

C20H25NO — CID 563741

IUPAC2-(dibenzylamino)-4-methylpentanal
SMILESCC(C)CC(C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3
InChIKeyMTCXPHZCBACKKY-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.30
Rot. Bonds8

About 2-(dibenzylamino)-4-methylpentanal

2-(dibenzylamino)-4-methylpentanal (PubChem CID 563741) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-(dibenzylamino)-4-methylpentanal.

Molecular Properties

Compound Name2-(dibenzylamino)-4-methylpentanal
PubChem CID563741
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-(dibenzylamino)-4-methylpentanal
SMILESCC(C)CC(C=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3
InChIKeyMTCXPHZCBACKKY-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.30
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 2-(dibenzylamino)-4-methylpentanal?
The IUPAC name of 2-(dibenzylamino)-4-methylpentanal (CID 563741) is 2-(dibenzylamino)-4-methylpentanal.
What is the SMILES notation for 2-(dibenzylamino)-4-methylpentanal?
The canonical SMILES for 2-(dibenzylamino)-4-methylpentanal is CC(C)CC(C=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-4-methylpentanal?
The InChIKey is MTCXPHZCBACKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-17(2)13-20(16-22)21(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3.
What are the key properties of 2-(dibenzylamino)-4-methylpentanal?
2-(dibenzylamino)-4-methylpentanal has a molecular weight of 295.43 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-4-methylpentanal is sourced from PubChem (CID 563741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).