5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine

C23H30N2 — CID 153378822

IUPAC5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine
SMILESCC1(C)CCC2(CCC(C)(C)c3ccc(N)cc32)c2cc(N)ccc21
InChIInChI=1S/C23H30N2/c1-21(2)9-11-23(19-13-15(24)5-7-17(19)21)12-10-22(3,4)18-8-6-16(25)14-20(18)23/h5-8,13-14H,9-12,24-25H2,1-4H3
InChIKeyTXNFWRIBBSOMLI-UHFFFAOYSA-N
MW334.51 g/mol
LogP5.28
Rot. Bonds

About 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine

5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine (PubChem CID 153378822) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine.

Molecular Properties

Compound Name5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine
PubChem CID153378822
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine
SMILESCC1(C)CCC2(CCC(C)(C)c3ccc(N)cc32)c2cc(N)ccc21
InChIInChI=1S/C23H30N2/c1-21(2)9-11-23(19-13-15(24)5-7-17(19)21)12-10-22(3,4)18-8-6-16(25)14-20(18)23/h5-8,13-14H,9-12,24-25H2,1-4H3
InChIKeyTXNFWRIBBSOMLI-UHFFFAOYSA-N
XLogP5.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine
CID 101027452
5-amino-2-[1,4,4-tris(4-amino-2-hydroxyphenyl)cyclohexyl]phenol
CID 153497972
1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine
CID 102196246
3-[(Z)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]aniline
CID 11722654
6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridin-3-amine
CID 116525884
2,2,4,4-tetramethyl-3H-thiochromen-7-amine
CID 18983575
1,4,4-trimethyl-2,3-dihydroquinolin-6-amine
CID 53407083
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
CID 136843705
CID 136843705
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine
CID 67055545
1-(6-amino-3,3-dimethyl-2H-indol-1-yl)ethanol
CID 130414548
ethane;propane;5,8,8-trimethyl-6,7-dihydro-5H-naphthalen-2-amine
CID 142087332

Frequently Asked Questions

What is the IUPAC name of 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine?
The IUPAC name of 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine (CID 153378822) is 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine.
What is the SMILES notation for 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine?
The canonical SMILES for 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine is CC1(C)CCC2(CCC(C)(C)c3ccc(N)cc32)c2cc(N)ccc21.
What is the InChIKey of 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine?
The InChIKey is TXNFWRIBBSOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-21(2)9-11-23(19-13-15(24)5-7-17(19)21)12-10-22(3,4)18-8-6-16(25)14-20(18)23/h5-8,13-14H,9-12,24-25H2,1-4H3.
What are the key properties of 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine?
5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine has a molecular weight of 334.51 g/mol, XLogP of 5.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine is sourced from PubChem (CID 153378822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).