1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol

C20H19N3O — CID 135693158

IUPAC1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol
SMILESCN(C)c1ccc(/C=N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O/c1-23(2)17-10-7-15(8-11-17)13-21-22-14-19-18-6-4-3-5-16(18)9-12-20(19)24/h3-14,24H,1-2H3/b21-13+,22-14+
InChIKeyTTXCKLGUAAMDHU-JFMUQQRKSA-N
MW317.39 g/mol
LogP4.06
Rot. Bonds4

About 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135693158) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135693158
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol
SMILESCN(C)c1ccc(/C=N/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O/c1-23(2)17-10-7-15(8-11-17)13-21-22-14-19-18-6-4-3-5-16(18)9-12-20(19)24/h3-14,24H,1-2H3/b21-13+,22-14+
InChIKeyTTXCKLGUAAMDHU-JFMUQQRKSA-N
XLogP4.06
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol (CID 135693158) is 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol is CN(C)c1ccc(/C=N/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is TTXCKLGUAAMDHU-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23(2)17-10-7-15(8-11-17)13-21-22-14-19-18-6-4-3-5-16(18)9-12-20(19)24/h3-14,24H,1-2H3/b21-13+,22-14+.
What are the key properties of 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 317.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135693158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).