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

C13H19NO — CID 86070234

IUPAC2-[di(propan-2-yl)amino]benzaldehyde
SMILESCC(C)N(c1ccccc1C=O)C(C)C
InChIInChI=1S/C13H19NO/c1-10(2)14(11(3)4)13-8-6-5-7-12(13)9-15/h5-11H,1-4H3
InChIKeyRWPNAYSTLYHQGQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.12
Rot. Bonds4

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

2-[di(propan-2-yl)amino]benzaldehyde (PubChem CID 86070234) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]benzaldehyde.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]benzaldehyde
PubChem CID86070234
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[di(propan-2-yl)amino]benzaldehyde
SMILESCC(C)N(c1ccccc1C=O)C(C)C
InChIInChI=1S/C13H19NO/c1-10(2)14(11(3)4)13-8-6-5-7-12(13)9-15/h5-11H,1-4H3
InChIKeyRWPNAYSTLYHQGQ-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
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]benzaldehyde?
The IUPAC name of 2-[di(propan-2-yl)amino]benzaldehyde (CID 86070234) is 2-[di(propan-2-yl)amino]benzaldehyde.
What is the SMILES notation for 2-[di(propan-2-yl)amino]benzaldehyde?
The canonical SMILES for 2-[di(propan-2-yl)amino]benzaldehyde is CC(C)N(c1ccccc1C=O)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]benzaldehyde?
The InChIKey is RWPNAYSTLYHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14(11(3)4)13-8-6-5-7-12(13)9-15/h5-11H,1-4H3.
What are the key properties of 2-[di(propan-2-yl)amino]benzaldehyde?
2-[di(propan-2-yl)amino]benzaldehyde has a molecular weight of 205.30 g/mol, XLogP of 3.12, 4 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]benzaldehyde is sourced from PubChem (CID 86070234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).