4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine

C21H26N2O2 — CID 67055545

IUPAC4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine
SMILESCC1(C)CC2(CC(C)(C)c3ccc(N)cc3O2)Oc2cc(N)ccc21
InChIInChI=1S/C21H26N2O2/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21/h5-10H,11-12,22-23H2,1-4H3
InChIKeyZMVGDQNBHMYYOA-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.37
Rot. Bonds

About 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine

4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine (PubChem CID 67055545) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine.

Molecular Properties

Compound Name4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine
PubChem CID67055545
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine
SMILESCC1(C)CC2(CC(C)(C)c3ccc(N)cc3O2)Oc2cc(N)ccc21
InChIInChI=1S/C21H26N2O2/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21/h5-10H,11-12,22-23H2,1-4H3
InChIKeyZMVGDQNBHMYYOA-UHFFFAOYSA-N
XLogP4.37
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine?
The IUPAC name of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine (CID 67055545) is 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine.
What is the SMILES notation for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine?
The canonical SMILES for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine is CC1(C)CC2(CC(C)(C)c3ccc(N)cc3O2)Oc2cc(N)ccc21.
What is the InChIKey of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine?
The InChIKey is ZMVGDQNBHMYYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21/h5-10H,11-12,22-23H2,1-4H3.
What are the key properties of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine?
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine has a molecular weight of 338.45 g/mol, XLogP of 4.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine is sourced from PubChem (CID 67055545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).