2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine

C10H16N2 — CID 70251029

IUPAC2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
SMILESCCN1CCC2CC=NC=C2C1
InChIInChI=1S/C10H16N2/c1-2-12-6-4-9-3-5-11-7-10(9)8-12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyVVUSPIGARNSLCJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.69
Rot. Bonds1

About 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine

2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine (PubChem CID 70251029) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
PubChem CID70251029
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine
SMILESCCN1CCC2CC=NC=C2C1
InChIInChI=1S/C10H16N2/c1-2-12-6-4-9-3-5-11-7-10(9)8-12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyVVUSPIGARNSLCJ-UHFFFAOYSA-N
XLogP1.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine?
The IUPAC name of 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine (CID 70251029) is 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine is CCN1CCC2CC=NC=C2C1.
What is the InChIKey of 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine?
The InChIKey is VVUSPIGARNSLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-12-6-4-9-3-5-11-7-10(9)8-12/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine?
2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine has a molecular weight of 164.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,4a,5-tetrahydro-1H-2,7-naphthyridine is sourced from PubChem (CID 70251029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).