4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde

C25H34N2O — CID 22041382

IUPAC4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde
SMILESCN(C)c1ccc(C=O)cc1-c1cc2c(cc1N(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H34N2O/c1-24(2)11-12-25(3,4)21-15-23(27(7)8)19(14-20(21)24)18-13-17(16-28)9-10-22(18)26(5)6/h9-10,13-16H,11-12H2,1-8H3
InChIKeyVOHJPADABLCQNK-UHFFFAOYSA-N
MW378.56 g/mol
LogP5.65
Rot. Bonds4

About 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde

4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde (PubChem CID 22041382) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde
PubChem CID22041382
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde
SMILESCN(C)c1ccc(C=O)cc1-c1cc2c(cc1N(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H34N2O/c1-24(2)11-12-25(3,4)21-15-23(27(7)8)19(14-20(21)24)18-13-17(16-28)9-10-22(18)26(5)6/h9-10,13-16H,11-12H2,1-8H3
InChIKeyVOHJPADABLCQNK-UHFFFAOYSA-N
XLogP5.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde?
The IUPAC name of 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde (CID 22041382) is 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde.
What is the SMILES notation for 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde?
The canonical SMILES for 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde is CN(C)c1ccc(C=O)cc1-c1cc2c(cc1N(C)C)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde?
The InChIKey is VOHJPADABLCQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O/c1-24(2)11-12-25(3,4)21-15-23(27(7)8)19(14-20(21)24)18-13-17(16-28)9-10-22(18)26(5)6/h9-10,13-16H,11-12H2,1-8H3.
What are the key properties of 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde?
4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde has a molecular weight of 378.56 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde is sourced from PubChem (CID 22041382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).