1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine

C21H26N2 — CID 101027452

IUPAC1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine
SMILESCC1(C)CC2(CC(C)(C)c3ccc(N)cc32)c2ccc(N)cc21
InChIInChI=1S/C21H26N2/c1-19(2)11-21(18-10-14(23)5-7-15(18)19)12-20(3,4)17-9-13(22)6-8-16(17)21/h5-10H,11-12,22-23H2,1-4H3
InChIKeyRVAYLJZMIXUHNC-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.50
Rot. Bonds

About 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine

1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine (PubChem CID 101027452) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine.

Molecular Properties

Compound Name1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine
PubChem CID101027452
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine
SMILESCC1(C)CC2(CC(C)(C)c3ccc(N)cc32)c2ccc(N)cc21
InChIInChI=1S/C21H26N2/c1-19(2)11-21(18-10-14(23)5-7-15(18)19)12-20(3,4)17-9-13(22)6-8-16(17)21/h5-10H,11-12,22-23H2,1-4H3
InChIKeyRVAYLJZMIXUHNC-UHFFFAOYSA-N
XLogP4.50
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine?
The IUPAC name of 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine (CID 101027452) is 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine.
What is the SMILES notation for 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine?
The canonical SMILES for 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine is CC1(C)CC2(CC(C)(C)c3ccc(N)cc32)c2ccc(N)cc21.
What is the InChIKey of 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine?
The InChIKey is RVAYLJZMIXUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-19(2)11-21(18-10-14(23)5-7-15(18)19)12-20(3,4)17-9-13(22)6-8-16(17)21/h5-10H,11-12,22-23H2,1-4H3.
What are the key properties of 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine?
1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine has a molecular weight of 306.45 g/mol, XLogP of 4.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine is sourced from PubChem (CID 101027452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).