8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine

C10H20N2O — CID 138549226

IUPAC8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine
SMILESCOC1C(N)CCC2CCCNC21
InChIInChI=1S/C10H20N2O/c1-13-10-8(11)5-4-7-3-2-6-12-9(7)10/h7-10,12H,2-6,11H2,1H3
InChIKeyOJDPDVQXLBVYBO-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.49
Rot. Bonds1

About 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine

8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine (PubChem CID 138549226) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine.

Molecular Properties

Compound Name8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine
PubChem CID138549226
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine
SMILESCOC1C(N)CCC2CCCNC21
InChIInChI=1S/C10H20N2O/c1-13-10-8(11)5-4-7-3-2-6-12-9(7)10/h7-10,12H,2-6,11H2,1H3
InChIKeyOJDPDVQXLBVYBO-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine?
The IUPAC name of 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine (CID 138549226) is 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine.
What is the SMILES notation for 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine?
The canonical SMILES for 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine is COC1C(N)CCC2CCCNC21.
What is the InChIKey of 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine?
The InChIKey is OJDPDVQXLBVYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-10-8(11)5-4-7-3-2-6-12-9(7)10/h7-10,12H,2-6,11H2,1H3.
What are the key properties of 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine?
8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine has a molecular weight of 184.28 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-amine is sourced from PubChem (CID 138549226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).