7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine

C10H16N2 — CID 153386947

IUPAC7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine
SMILESCCC1C=CC2=C(NCCC2)N1
InChIInChI=1S/C10H16N2/c1-2-9-6-5-8-4-3-7-11-10(8)12-9/h5-6,9,11-12H,2-4,7H2,1H3
InChIKeyVRAAOSVTBZIHEY-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.52
Rot. Bonds1

About 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine

7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine (PubChem CID 153386947) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine
PubChem CID153386947
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine
SMILESCCC1C=CC2=C(NCCC2)N1
InChIInChI=1S/C10H16N2/c1-2-9-6-5-8-4-3-7-11-10(8)12-9/h5-6,9,11-12H,2-4,7H2,1H3
InChIKeyVRAAOSVTBZIHEY-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine?
The IUPAC name of 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine (CID 153386947) is 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine.
What is the SMILES notation for 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine?
The canonical SMILES for 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine is CCC1C=CC2=C(NCCC2)N1.
What is the InChIKey of 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine?
The InChIKey is VRAAOSVTBZIHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-9-6-5-8-4-3-7-11-10(8)12-9/h5-6,9,11-12H,2-4,7H2,1H3.
What are the key properties of 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine?
7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine has a molecular weight of 164.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine is sourced from PubChem (CID 153386947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).