1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine

C12H22N2 — CID 89244137

IUPAC1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine
SMILESCCN1CCCC2=C1N(CC)CCC2
InChIInChI=1S/C12H22N2/c1-3-13-9-5-7-11-8-6-10-14(4-2)12(11)13/h3-10H2,1-2H3
InChIKeyHXYGXJSPYMOJEF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.43
Rot. Bonds2

About 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine

1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine (PubChem CID 89244137) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine.

Molecular Properties

Compound Name1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine
PubChem CID89244137
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine
SMILESCCN1CCCC2=C1N(CC)CCC2
InChIInChI=1S/C12H22N2/c1-3-13-9-5-7-11-8-6-10-14(4-2)12(11)13/h3-10H2,1-2H3
InChIKeyHXYGXJSPYMOJEF-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine?
The IUPAC name of 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine (CID 89244137) is 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine.
What is the SMILES notation for 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine?
The canonical SMILES for 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine is CCN1CCCC2=C1N(CC)CCC2.
What is the InChIKey of 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine?
The InChIKey is HXYGXJSPYMOJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-13-9-5-7-11-8-6-10-14(4-2)12(11)13/h3-10H2,1-2H3.
What are the key properties of 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine?
1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine has a molecular weight of 194.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diethyl-2,3,4,5,6,7-hexahydro-1,8-naphthyridine is sourced from PubChem (CID 89244137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).