2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine

C16H26N2 — CID 165157964

IUPAC2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)(C)c1ccc2c(n1)CCN(C(C)(C)C)C2
InChIInChI=1S/C16H26N2/c1-15(2,3)14-8-7-12-11-18(16(4,5)6)10-9-13(12)17-14/h7-8H,9-11H2,1-6H3
InChIKeyCNFAZSRMXFLQBX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.54
Rot. Bonds

About 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine

2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 165157964) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID165157964
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)(C)c1ccc2c(n1)CCN(C(C)(C)C)C2
InChIInChI=1S/C16H26N2/c1-15(2,3)14-8-7-12-11-18(16(4,5)6)10-9-13(12)17-14/h7-8H,9-11H2,1-6H3
InChIKeyCNFAZSRMXFLQBX-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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Related Compounds

2-tert-butyl-6-methylsulfinyl-7,8-dihydro-5H-1,6-naphthyridine
CID 145198086
2-tert-butyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 159309526
2-tert-butyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-sulfonamide
CID 134595685
2-tert-butyl-6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 129100146
2,6-ditert-butyl-3,4-dihydro-1H-2,7-naphthyridine
CID 171767542
methyl N-[(2S)-1-(2-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 139573504
7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 20655702
2-tert-butyl-6,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 142196715
(2E)-N-(6-tert-butyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)-2-ethenyl-1-phenylpenta-2,4-dien-1-imine
CID 145195886
2,5-ditert-butyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90295532
2,8-ditert-butyl-3,4-dihydro-1H-isoquinoline;ethane
CID 162223831
2-tert-butyl-6-methylspiro[5H-pyrrolo[3,4-b]pyridine-7,1'-cyclopropane]
CID 177283769

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine (CID 165157964) is 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine is CC(C)(C)c1ccc2c(n1)CCN(C(C)(C)C)C2.
What is the InChIKey of 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is CNFAZSRMXFLQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(2,3)14-8-7-12-11-18(16(4,5)6)10-9-13(12)17-14/h7-8H,9-11H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-7,8-dihydro-5H-1,6-naphthyridine?
2,6-ditert-butyl-7,8-dihydro-5H-1,6-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-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 165157964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).