1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine

C13H19N3 — CID 5340389

IUPAC1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine
SMILESCN1CCCc2c1nc1c(c2N)CCCC1
InChIInChI=1S/C13H19N3/c1-16-8-4-6-10-12(14)9-5-2-3-7-11(9)15-13(10)16/h2-8H2,1H3,(H2,14,15)
InChIKeyMTYQLBXYRWSILA-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.92
Rot. Bonds

About 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine

1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine (PubChem CID 5340389) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine.

Molecular Properties

Compound Name1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine
PubChem CID5340389
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine
SMILESCN1CCCc2c1nc1c(c2N)CCCC1
InChIInChI=1S/C13H19N3/c1-16-8-4-6-10-12(14)9-5-2-3-7-11(9)15-13(10)16/h2-8H2,1H3,(H2,14,15)
InChIKeyMTYQLBXYRWSILA-UHFFFAOYSA-N
XLogP1.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine?
The IUPAC name of 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine (CID 5340389) is 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine.
What is the SMILES notation for 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine?
The canonical SMILES for 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine is CN1CCCc2c1nc1c(c2N)CCCC1.
What is the InChIKey of 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine?
The InChIKey is MTYQLBXYRWSILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-16-8-4-6-10-12(14)9-5-2-3-7-11(9)15-13(10)16/h2-8H2,1H3,(H2,14,15).
What are the key properties of 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine?
1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine has a molecular weight of 217.32 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,6,7,8,9-hexahydro-2H-benzo[b][1,8]naphthyridin-5-amine is sourced from PubChem (CID 5340389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).