6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine

C13H17NO3 — CID 82194483

IUPAC6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine
SMILESCC1(C)CC(C)(N)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C13H17NO3/c1-12(2)6-13(3,14)8-4-10-11(16-7-15-10)5-9(8)17-12/h4-5H,6-7,14H2,1-3H3
InChIKeyZOZDVBPVHYKYED-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.15
Rot. Bonds

About 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine

6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine (PubChem CID 82194483) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine.

Molecular Properties

Compound Name6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine
PubChem CID82194483
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine
SMILESCC1(C)CC(C)(N)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C13H17NO3/c1-12(2)6-13(3,14)8-4-10-11(16-7-15-10)5-9(8)17-12/h4-5H,6-7,14H2,1-3H3
InChIKeyZOZDVBPVHYKYED-UHFFFAOYSA-N
XLogP2.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-dimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-one
CID 12531628
6,6-dimethyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][1,5]benzoxazepine
CID 104523658
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
2,2,4,4,7-pentamethyl-3H-chromen-6-amine
CID 18983567
2,2,4,4,6-pentamethyl-3H-chromen-7-amine
CID 18983549
(5Z)-5-benzylidene-7,7-dimethylfuro[3,4-f][1,3]benzodioxole
CID 102593158
1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117408361
1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine
CID 84791254
6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol
CID 117295658
2-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117456976
1,3-benzodioxole-5,6-diamine;dihydrate
CID 175096617
1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117293533

Frequently Asked Questions

What is the IUPAC name of 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine?
The IUPAC name of 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine (CID 82194483) is 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine.
What is the SMILES notation for 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine?
The canonical SMILES for 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine is CC1(C)CC(C)(N)c2cc3c(cc2O1)OCO3.
What is the InChIKey of 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine?
The InChIKey is ZOZDVBPVHYKYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-12(2)6-13(3,14)8-4-10-11(16-7-15-10)5-9(8)17-12/h4-5H,6-7,14H2,1-3H3.
What are the key properties of 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine?
6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine has a molecular weight of 235.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8-trimethyl-7H-[1,3]dioxolo[4,5-g]chromen-8-amine is sourced from PubChem (CID 82194483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).