2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine

C16H26N2 — CID 171767542

IUPAC2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC(C)(C)c1cc2c(cn1)CN(C(C)(C)C)CC2
InChIInChI=1S/C16H26N2/c1-15(2,3)14-9-12-7-8-18(16(4,5)6)11-13(12)10-17-14/h9-10H,7-8,11H2,1-6H3
InChIKeyKOIDSEBCXFZYKY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.54
Rot. Bonds

About 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine

2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 171767542) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID171767542
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC(C)(C)c1cc2c(cn1)CN(C(C)(C)C)CC2
InChIInChI=1S/C16H26N2/c1-15(2,3)14-9-12-7-8-18(16(4,5)6)11-13(12)10-17-14/h9-10H,7-8,11H2,1-6H3
InChIKeyKOIDSEBCXFZYKY-UHFFFAOYSA-N
XLogP3.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine (CID 171767542) is 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine is CC(C)(C)c1cc2c(cn1)CN(C(C)(C)C)CC2.
What is the InChIKey of 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is KOIDSEBCXFZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(2,3)14-9-12-7-8-18(16(4,5)6)11-13(12)10-17-14/h9-10H,7-8,11H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine?
2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 246.40 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 171767542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).