2-tert-butyl-3,8a-dihydro-1,6-naphthyridine

C12H16N2 — CID 123175766

IUPAC2-tert-butyl-3,8a-dihydro-1,6-naphthyridine
SMILESCC(C)(C)C1=NC2C=CN=CC2=CC1
InChIInChI=1S/C12H16N2/c1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11/h4,6-8,10H,5H2,1-3H3
InChIKeyKNUQFCUYIYFOKS-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.77
Rot. Bonds

About 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine

2-tert-butyl-3,8a-dihydro-1,6-naphthyridine (PubChem CID 123175766) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine.

Molecular Properties

Compound Name2-tert-butyl-3,8a-dihydro-1,6-naphthyridine
PubChem CID123175766
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-tert-butyl-3,8a-dihydro-1,6-naphthyridine
SMILESCC(C)(C)C1=NC2C=CN=CC2=CC1
InChIInChI=1S/C12H16N2/c1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11/h4,6-8,10H,5H2,1-3H3
InChIKeyKNUQFCUYIYFOKS-UHFFFAOYSA-N
XLogP2.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4a,8a-dihydro-1,6-naphthyridine
CID 59984552
3,8a-Dihydro-1,6-naphthyridine
CID 91523859
2-Methyl-3,8a-dihydro-1,6-naphthyridine
CID 91542486
8-Methyl-8-(2-methylprop-2-enyl)pyrido[3,2-b]azepine
CID 142875295
6,7-Ditert-butyl-4,4a-dihydropyrido[3,2-c]pyridazine
CID 155649396
8-Methyl-8,8a-dihydro-1,6-naphthyridine
CID 156182387
(Z,2Z)-1-N-butan-2-yl-2-(4,4-dimethylpentan-2-ylidene)-3-N-prop-1-en-2-ylhex-4-ene-1,3-diimine
CID 166750805
(2Z,5Z)-4-N-ethenyl-1-N-methyl-3-propan-2-ylhepta-2,5-diene-1,4-diimine
CID 166983874
2,7-ditert-butyl-4aH-pyrazino[1,2-b]pyridazine
CID 177267270
3-tert-butyl-2-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 167604945

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine?
The IUPAC name of 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine (CID 123175766) is 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine.
What is the SMILES notation for 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine?
The canonical SMILES for 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine is CC(C)(C)C1=NC2C=CN=CC2=CC1.
What is the InChIKey of 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine?
The InChIKey is KNUQFCUYIYFOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)11-5-4-9-8-13-7-6-10(9)14-11/h4,6-8,10H,5H2,1-3H3.
What are the key properties of 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine?
2-tert-butyl-3,8a-dihydro-1,6-naphthyridine has a molecular weight of 188.27 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,8a-dihydro-1,6-naphthyridine is sourced from PubChem (CID 123175766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).