6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine

C13H21NO2 — CID 163493322

IUPAC6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine
SMILESCNC1CCC2CC(OC)=C(OC)C=C2C1
InChIInChI=1S/C13H21NO2/c1-14-11-5-4-9-7-12(15-2)13(16-3)8-10(9)6-11/h8-9,11,14H,4-7H2,1-3H3
InChIKeyCOMDWQCRDOWVDY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds3

About 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine

6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine (PubChem CID 163493322) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine
PubChem CID163493322
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine
SMILESCNC1CCC2CC(OC)=C(OC)C=C2C1
InChIInChI=1S/C13H21NO2/c1-14-11-5-4-9-7-12(15-2)13(16-3)8-10(9)6-11/h8-9,11,14H,4-7H2,1-3H3
InChIKeyCOMDWQCRDOWVDY-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine?
The IUPAC name of 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine (CID 163493322) is 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine.
What is the SMILES notation for 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine?
The canonical SMILES for 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine is CNC1CCC2CC(OC)=C(OC)C=C2C1.
What is the InChIKey of 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine?
The InChIKey is COMDWQCRDOWVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14-11-5-4-9-7-12(15-2)13(16-3)8-10(9)6-11/h8-9,11,14H,4-7H2,1-3H3.
What are the key properties of 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine?
6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-methyl-1,2,3,4,4a,5-hexahydronaphthalen-2-amine is sourced from PubChem (CID 163493322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).