5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide

C15H19N3O — CID 58934310

IUPAC5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)N=[N+]=[N-])ccc21
InChIInChI=1S/C15H19N3O/c1-14(2)7-8-15(3,4)12-9-10(5-6-11(12)14)13(19)17-18-16/h5-6,9H,7-8H2,1-4H3
InChIKeyBEOXIFRNDCYAHK-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.49
Rot. Bonds1

About 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide

5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide (PubChem CID 58934310) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide
PubChem CID58934310
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)N=[N+]=[N-])ccc21
InChIInChI=1S/C15H19N3O/c1-14(2)7-8-15(3,4)12-9-10(5-6-11(12)14)13(19)17-18-16/h5-6,9H,7-8H2,1-4H3
InChIKeyBEOXIFRNDCYAHK-UHFFFAOYSA-N
XLogP4.49
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide?
The IUPAC name of 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide (CID 58934310) is 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide.
What is the SMILES notation for 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide?
The canonical SMILES for 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide is CC1(C)CCC(C)(C)c2cc(C(=O)N=[N+]=[N-])ccc21.
What is the InChIKey of 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide?
The InChIKey is BEOXIFRNDCYAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-14(2)7-8-15(3,4)12-9-10(5-6-11(12)14)13(19)17-18-16/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide?
5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide has a molecular weight of 257.34 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl azide is sourced from PubChem (CID 58934310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).