3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine

C15H20N2 — CID 58759587

IUPAC3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine
SMILESCc1cc(C)c2cc(C(C)(C)C)c(C)nc2n1
InChIInChI=1S/C15H20N2/c1-9-7-10(2)16-14-12(9)8-13(11(3)17-14)15(4,5)6/h7-8H,1-6H3
InChIKeyHTOTUNACVRWZSY-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.85
Rot. Bonds

About 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine

3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine (PubChem CID 58759587) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine.

Molecular Properties

Compound Name3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine
PubChem CID58759587
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine
SMILESCc1cc(C)c2cc(C(C)(C)C)c(C)nc2n1
InChIInChI=1S/C15H20N2/c1-9-7-10(2)16-14-12(9)8-13(11(3)17-14)15(4,5)6/h7-8H,1-6H3
InChIKeyHTOTUNACVRWZSY-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine?
The IUPAC name of 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine (CID 58759587) is 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine.
What is the SMILES notation for 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine?
The canonical SMILES for 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine is Cc1cc(C)c2cc(C(C)(C)C)c(C)nc2n1.
What is the InChIKey of 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine?
The InChIKey is HTOTUNACVRWZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-9-7-10(2)16-14-12(9)8-13(11(3)17-14)15(4,5)6/h7-8H,1-6H3.
What are the key properties of 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine?
3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine has a molecular weight of 228.34 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,5,7-trimethyl-1,8-naphthyridine is sourced from PubChem (CID 58759587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).