4-(dipropylamino)-2-methylbenzaldehyde

C14H21NO — CID 14848763

IUPAC4-(dipropylamino)-2-methylbenzaldehyde
SMILESCCCN(CCC)c1ccc(C=O)c(C)c1
InChIInChI=1S/C14H21NO/c1-4-8-15(9-5-2)14-7-6-13(11-16)12(3)10-14/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyYOPYGFRWKDWUMI-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.43
Rot. Bonds6

About 4-(dipropylamino)-2-methylbenzaldehyde

4-(dipropylamino)-2-methylbenzaldehyde (PubChem CID 14848763) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(dipropylamino)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(dipropylamino)-2-methylbenzaldehyde
PubChem CID14848763
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(dipropylamino)-2-methylbenzaldehyde
SMILESCCCN(CCC)c1ccc(C=O)c(C)c1
InChIInChI=1S/C14H21NO/c1-4-8-15(9-5-2)14-7-6-13(11-16)12(3)10-14/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyYOPYGFRWKDWUMI-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.43
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 4-(dipropylamino)-2-methylbenzaldehyde?
The IUPAC name of 4-(dipropylamino)-2-methylbenzaldehyde (CID 14848763) is 4-(dipropylamino)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(dipropylamino)-2-methylbenzaldehyde?
The canonical SMILES for 4-(dipropylamino)-2-methylbenzaldehyde is CCCN(CCC)c1ccc(C=O)c(C)c1.
What is the InChIKey of 4-(dipropylamino)-2-methylbenzaldehyde?
The InChIKey is YOPYGFRWKDWUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-8-15(9-5-2)14-7-6-13(11-16)12(3)10-14/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(dipropylamino)-2-methylbenzaldehyde?
4-(dipropylamino)-2-methylbenzaldehyde has a molecular weight of 219.33 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-2-methylbenzaldehyde is sourced from PubChem (CID 14848763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).