7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine

C12H16N2O2 — CID 82276010

IUPAC7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine
SMILESCC1CC(N)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C12H16N2O2/c1-7-4-9(13)8-5-11-12(6-10(8)14-7)16-3-2-15-11/h5-7,9,14H,2-4,13H2,1H3
InChIKeyVEPDZTBUTHCPSW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.66
Rot. Bonds

About 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine

7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine (PubChem CID 82276010) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine.

Molecular Properties

Compound Name7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine
PubChem CID82276010
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine
SMILESCC1CC(N)c2cc3c(cc2N1)OCCO3
InChIInChI=1S/C12H16N2O2/c1-7-4-9(13)8-5-11-12(6-10(8)14-7)16-3-2-15-11/h5-7,9,14H,2-4,13H2,1H3
InChIKeyVEPDZTBUTHCPSW-UHFFFAOYSA-N
XLogP1.66
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The IUPAC name of 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine (CID 82276010) is 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine.
What is the SMILES notation for 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The canonical SMILES for 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine is CC1CC(N)c2cc3c(cc2N1)OCCO3.
What is the InChIKey of 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
The InChIKey is VEPDZTBUTHCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7-4-9(13)8-5-11-12(6-10(8)14-7)16-3-2-15-11/h5-7,9,14H,2-4,13H2,1H3.
What are the key properties of 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine?
7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine has a molecular weight of 220.27 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]quinolin-9-amine is sourced from PubChem (CID 82276010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).