2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium

C11H17N2+ — CID 139573567

IUPAC2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium
SMILESCc1ccc2c(n1)CC[N+](C)(C)C2
InChIInChI=1S/C11H17N2/c1-9-4-5-10-8-13(2,3)7-6-11(10)12-9/h4-5H,6-8H2,1-3H3/q+1
InChIKeyAHMSBQCVUHUBHM-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.52
Rot. Bonds

About 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium

2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium (PubChem CID 139573567) has the molecular formula C11H17N2+ and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium.

Molecular Properties

Compound Name2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium
PubChem CID139573567
Molecular FormulaC11H17N2+
Molecular Weight177.27 g/mol
Exact Mass177.14
IUPAC Name2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium
SMILESCc1ccc2c(n1)CC[N+](C)(C)C2
InChIInChI=1S/C11H17N2/c1-9-4-5-10-8-13(2,3)7-6-11(10)12-9/h4-5H,6-8H2,1-3H3/q+1
InChIKeyAHMSBQCVUHUBHM-UHFFFAOYSA-N
XLogP1.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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2-methyl-7,8-dihydro-5H-1,7-naphthyridin-6-one
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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium?
The IUPAC name of 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium (CID 139573567) is 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium.
What is the SMILES notation for 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium?
The canonical SMILES for 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium is Cc1ccc2c(n1)CC[N+](C)(C)C2.
What is the InChIKey of 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium?
The InChIKey is AHMSBQCVUHUBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2/c1-9-4-5-10-8-13(2,3)7-6-11(10)12-9/h4-5H,6-8H2,1-3H3/q+1.
What are the key properties of 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium?
2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium has a molecular weight of 177.27 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridin-6-ium is sourced from PubChem (CID 139573567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).