3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine

C26H31NO4 — CID 143139012

IUPAC3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine
SMILESCC1(N)COc2cc3c(cc2O1)C1(CCC3(C)C)CC(C)(C)c2cc3c(cc21)OCO3
InChIInChI=1S/C26H31NO4/c1-23(2)6-7-26(18-11-22-21(8-15(18)23)28-13-25(5,27)31-22)12-24(3,4)16-9-19-20(10-17(16)26)30-14-29-19/h8-11H,6-7,12-14,27H2,1-5H3
InChIKeyYXCGUIOXKJZMFX-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.90
Rot. Bonds

About 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine

3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine (PubChem CID 143139012) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine.

Molecular Properties

Compound Name3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine
PubChem CID143139012
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine
SMILESCC1(N)COc2cc3c(cc2O1)C1(CCC3(C)C)CC(C)(C)c2cc3c(cc21)OCO3
InChIInChI=1S/C26H31NO4/c1-23(2)6-7-26(18-11-22-21(8-15(18)23)28-13-25(5,27)31-22)12-24(3,4)16-9-19-20(10-17(16)26)30-14-29-19/h8-11H,6-7,12-14,27H2,1-5H3
InChIKeyYXCGUIOXKJZMFX-UHFFFAOYSA-N
XLogP4.90
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine with MolForge

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Related Compounds

6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 82194483
5,5,5',5'-tetramethyl-8,8'-spirobi[6,7-dihydronaphthalene]-2,2'-diamine
CID 153378822
1-(3,3,8-trimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117440829
(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole
CID 102593158
1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5,5'-diamine
CID 101027452
1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117408361
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol
CID 117314324
1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine
CID 84791254
1,1,1',1'-tetramethyl-3,3'-spirobi[2H-cyclopenta[i]oxanthrene]-6,6',9,9'-tetracarbonitrile
CID 102485472
2-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117456976
3-(6-methyl-1,3-benzodioxol-5-yl)oxetane-3-carbaldehyde
CID 116872410
6,6-dimethyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][1,5]benzoxazepine
CID 104523658

Frequently Asked Questions

What is the IUPAC name of 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine?
The IUPAC name of 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine (CID 143139012) is 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine.
What is the SMILES notation for 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine?
The canonical SMILES for 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine is CC1(N)COc2cc3c(cc2O1)C1(CCC3(C)C)CC(C)(C)c2cc3c(cc21)OCO3.
What is the InChIKey of 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine?
The InChIKey is YXCGUIOXKJZMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO4/c1-23(2)6-7-26(18-11-22-21(8-15(18)23)28-13-25(5,27)31-22)12-24(3,4)16-9-19-20(10-17(16)26)30-14-29-19/h8-11H,6-7,12-14,27H2,1-5H3.
What are the key properties of 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine?
3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine has a molecular weight of 421.54 g/mol, XLogP of 4.90, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5,5,9',9'-pentamethylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,6'-7,8-dihydro-2H-benzo[g][1,4]benzodioxine]-3'-amine is sourced from PubChem (CID 143139012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).