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

C19H27N3 — CID 82450082

IUPACN-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
SMILESCCCNCc1c2c(nc3c(C)cccc13)CCN(CC)C2
InChIInChI=1S/C19H27N3/c1-4-10-20-12-16-15-8-6-7-14(3)19(15)21-18-9-11-22(5-2)13-17(16)18/h6-8,20H,4-5,9-13H2,1-3H3
InChIKeyPSXJWEHUCBRJPV-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.42
Rot. Bonds5

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

N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine (PubChem CID 82450082) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
PubChem CID82450082
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
SMILESCCCNCc1c2c(nc3c(C)cccc13)CCN(CC)C2
InChIInChI=1S/C19H27N3/c1-4-10-20-12-16-15-8-6-7-14(3)19(15)21-18-9-11-22(5-2)13-17(16)18/h6-8,20H,4-5,9-13H2,1-3H3
InChIKeyPSXJWEHUCBRJPV-UHFFFAOYSA-N
XLogP3.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine (CID 82450082) is N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine is CCCNCc1c2c(nc3c(C)cccc13)CCN(CC)C2.
What is the InChIKey of N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The InChIKey is PSXJWEHUCBRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-4-10-20-12-16-15-8-6-7-14(3)19(15)21-18-9-11-22(5-2)13-17(16)18/h6-8,20H,4-5,9-13H2,1-3H3.
What are the key properties of N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine has a molecular weight of 297.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine is sourced from PubChem (CID 82450082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).