2-[[di(propan-2-yl)amino]methyl]benzaldehyde

C14H21NO — CID 91657782

IUPAC2-[[di(propan-2-yl)amino]methyl]benzaldehyde
SMILESCC(C)N(Cc1ccccc1C=O)C(C)C
InChIInChI=1S/C14H21NO/c1-11(2)15(12(3)4)9-13-7-5-6-8-14(13)10-16/h5-8,10-12H,9H2,1-4H3
InChIKeyLLKZHYGBQWKPQW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.12
Rot. Bonds5

About 2-[[di(propan-2-yl)amino]methyl]benzaldehyde

2-[[di(propan-2-yl)amino]methyl]benzaldehyde (PubChem CID 91657782) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]methyl]benzaldehyde.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]methyl]benzaldehyde
PubChem CID91657782
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[[di(propan-2-yl)amino]methyl]benzaldehyde
SMILESCC(C)N(Cc1ccccc1C=O)C(C)C
InChIInChI=1S/C14H21NO/c1-11(2)15(12(3)4)9-13-7-5-6-8-14(13)10-16/h5-8,10-12H,9H2,1-4H3
InChIKeyLLKZHYGBQWKPQW-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.12
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-[[di(propan-2-yl)amino]methyl]benzaldehyde?
The IUPAC name of 2-[[di(propan-2-yl)amino]methyl]benzaldehyde (CID 91657782) is 2-[[di(propan-2-yl)amino]methyl]benzaldehyde.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]methyl]benzaldehyde?
The canonical SMILES for 2-[[di(propan-2-yl)amino]methyl]benzaldehyde is CC(C)N(Cc1ccccc1C=O)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)amino]methyl]benzaldehyde?
The InChIKey is LLKZHYGBQWKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)15(12(3)4)9-13-7-5-6-8-14(13)10-16/h5-8,10-12H,9H2,1-4H3.
What are the key properties of 2-[[di(propan-2-yl)amino]methyl]benzaldehyde?
2-[[di(propan-2-yl)amino]methyl]benzaldehyde has a molecular weight of 219.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)amino]methyl]benzaldehyde is sourced from PubChem (CID 91657782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).