(2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine

C10H16N2 — CID 155054500

IUPAC(2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine
SMILESCC[C@@H]1CC=C2C=NCCC2N1
InChIInChI=1S/C10H16N2/c1-2-9-4-3-8-7-11-6-5-10(8)12-9/h3,7,9-10,12H,2,4-6H2,1H3/t9-,10?/m1/s1
InChIKeyHOPZAHVTJSEZAS-YHMJZVADSA-N
MW164.25 g/mol
LogP1.53
Rot. Bonds1

About (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine

(2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine (PubChem CID 155054500) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine.

Molecular Properties

Compound Name(2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine
PubChem CID155054500
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine
SMILESCC[C@@H]1CC=C2C=NCCC2N1
InChIInChI=1S/C10H16N2/c1-2-9-4-3-8-7-11-6-5-10(8)12-9/h3,7,9-10,12H,2,4-6H2,1H3/t9-,10?/m1/s1
InChIKeyHOPZAHVTJSEZAS-YHMJZVADSA-N
XLogP1.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine?
The IUPAC name of (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine (CID 155054500) is (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine.
What is the SMILES notation for (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine?
The canonical SMILES for (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine is CC[C@@H]1CC=C2C=NCCC2N1.
What is the InChIKey of (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine?
The InChIKey is HOPZAHVTJSEZAS-YHMJZVADSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-9-4-3-8-7-11-6-5-10(8)12-9/h3,7,9-10,12H,2,4-6H2,1H3/t9-,10?/m1/s1.
What are the key properties of (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine?
(2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine has a molecular weight of 164.25 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1,2,3,7,8,8a-hexahydro-1,6-naphthyridine is sourced from PubChem (CID 155054500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).