2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine

C12H17N3 — CID 90254267

IUPAC2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine
SMILESCC(C)(C)C1=CC=C2C(N)=NC=CC2N1
InChIInChI=1S/C12H17N3/c1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13/h4-7,9,15H,1-3H3,(H2,13,14)
InChIKeyYESGTHJIJKWEHQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.70
Rot. Bonds

About 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine

2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine (PubChem CID 90254267) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine
PubChem CID90254267
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine
SMILESCC(C)(C)C1=CC=C2C(N)=NC=CC2N1
InChIInChI=1S/C12H17N3/c1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13/h4-7,9,15H,1-3H3,(H2,13,14)
InChIKeyYESGTHJIJKWEHQ-UHFFFAOYSA-N
XLogP1.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine?
The IUPAC name of 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine (CID 90254267) is 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine.
What is the SMILES notation for 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine?
The canonical SMILES for 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine is CC(C)(C)C1=CC=C2C(N)=NC=CC2N1.
What is the InChIKey of 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine?
The InChIKey is YESGTHJIJKWEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,3)10-5-4-8-9(15-10)6-7-14-11(8)13/h4-7,9,15H,1-3H3,(H2,13,14).
What are the key properties of 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine?
2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,8a-dihydro-1,6-naphthyridin-5-amine is sourced from PubChem (CID 90254267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).