(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine

C16H21N3 — CID 82450182

IUPAC(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
SMILESCCc1cccc2c(CN)c3c(nc12)CCN(C)C3
InChIInChI=1S/C16H21N3/c1-3-11-5-4-6-12-13(9-17)14-10-19(2)8-7-15(14)18-16(11)12/h4-6H,3,7-10,17H2,1-2H3
InChIKeyVKOXZZMELJPQTK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.24
Rot. Bonds2

About (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine

(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine (PubChem CID 82450182) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine.

Molecular Properties

Compound Name(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
PubChem CID82450182
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
SMILESCCc1cccc2c(CN)c3c(nc12)CCN(C)C3
InChIInChI=1S/C16H21N3/c1-3-11-5-4-6-12-13(9-17)14-10-19(2)8-7-15(14)18-16(11)12/h4-6H,3,7-10,17H2,1-2H3
InChIKeyVKOXZZMELJPQTK-UHFFFAOYSA-N
XLogP2.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine?
The IUPAC name of (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine (CID 82450182) is (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine.
What is the SMILES notation for (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine?
The canonical SMILES for (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine is CCc1cccc2c(CN)c3c(nc12)CCN(C)C3.
What is the InChIKey of (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine?
The InChIKey is VKOXZZMELJPQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-11-5-4-6-12-13(9-17)14-10-19(2)8-7-15(14)18-16(11)12/h4-6H,3,7-10,17H2,1-2H3.
What are the key properties of (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine?
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine is sourced from PubChem (CID 82450182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).