[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine

C20H24N2 — CID 129406150

IUPAC[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine
SMILESCCCN1CCc2cccc3c2[C@H]1Cc1cccc(CN)c1-3
InChIInChI=1S/C20H24N2/c1-2-10-22-11-9-14-5-4-8-17-19-15(12-18(22)20(14)17)6-3-7-16(19)13-21/h3-8,18H,2,9-13,21H2,1H3/t18-/m1/s1
InChIKeyZOQYROWPMGNVQN-GOSISDBHSA-N
MW292.43 g/mol
LogP3.68
Rot. Bonds3

About [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine

[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine (PubChem CID 129406150) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine.

Molecular Properties

Compound Name[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine
PubChem CID129406150
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine
SMILESCCCN1CCc2cccc3c2[C@H]1Cc1cccc(CN)c1-3
InChIInChI=1S/C20H24N2/c1-2-10-22-11-9-14-5-4-8-17-19-15(12-18(22)20(14)17)6-3-7-16(19)13-21/h3-8,18H,2,9-13,21H2,1H3/t18-/m1/s1
InChIKeyZOQYROWPMGNVQN-GOSISDBHSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine?
The IUPAC name of [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine (CID 129406150) is [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine.
What is the SMILES notation for [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine?
The canonical SMILES for [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine is CCCN1CCc2cccc3c2[C@H]1Cc1cccc(CN)c1-3.
What is the InChIKey of [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine?
The InChIKey is ZOQYROWPMGNVQN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-10-22-11-9-14-5-4-8-17-19-15(12-18(22)20(14)17)6-3-7-16(19)13-21/h3-8,18H,2,9-13,21H2,1H3/t18-/m1/s1.
What are the key properties of [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine?
[(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]methanamine is sourced from PubChem (CID 129406150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).