4-(dimethylamino)naphthalene-1-carbaldehyde

C13H13NO — CID 608052

IUPAC4-(dimethylamino)naphthalene-1-carbaldehyde
SMILESCN(C)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C13H13NO/c1-14(2)13-8-7-10(9-15)11-5-3-4-6-12(11)13/h3-9H,1-2H3
InChIKeyXCQFZIFIUMBSAO-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.72
Rot. Bonds2

About 4-(dimethylamino)naphthalene-1-carbaldehyde

4-(dimethylamino)naphthalene-1-carbaldehyde (PubChem CID 608052) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(dimethylamino)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)naphthalene-1-carbaldehyde
PubChem CID608052
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-(dimethylamino)naphthalene-1-carbaldehyde
SMILESCN(C)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C13H13NO/c1-14(2)13-8-7-10(9-15)11-5-3-4-6-12(11)13/h3-9H,1-2H3
InChIKeyXCQFZIFIUMBSAO-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.72
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-(dimethylamino)naphthalene-1-carbaldehyde?
The IUPAC name of 4-(dimethylamino)naphthalene-1-carbaldehyde (CID 608052) is 4-(dimethylamino)naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-(dimethylamino)naphthalene-1-carbaldehyde?
The canonical SMILES for 4-(dimethylamino)naphthalene-1-carbaldehyde is CN(C)c1ccc(C=O)c2ccccc12.
What is the InChIKey of 4-(dimethylamino)naphthalene-1-carbaldehyde?
The InChIKey is XCQFZIFIUMBSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-14(2)13-8-7-10(9-15)11-5-3-4-6-12(11)13/h3-9H,1-2H3.
What are the key properties of 4-(dimethylamino)naphthalene-1-carbaldehyde?
4-(dimethylamino)naphthalene-1-carbaldehyde has a molecular weight of 199.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)naphthalene-1-carbaldehyde is sourced from PubChem (CID 608052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).