1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine

C16H28N2 — CID 20773083

IUPAC1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCC2
InChIInChI=1S/C16H28N2/c1-15(2,3)17-11-9-13-8-7-10-18(14(13)12-17)16(4,5)6/h9,11H,7-8,10,12H2,1-6H3
InChIKeyYOGYPMGMAUKUKM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.76
Rot. Bonds

About 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine

1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine (PubChem CID 20773083) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine
PubChem CID20773083
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCC2
InChIInChI=1S/C16H28N2/c1-15(2,3)17-11-9-13-8-7-10-18(14(13)12-17)16(4,5)6/h9,11H,7-8,10,12H2,1-6H3
InChIKeyYOGYPMGMAUKUKM-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine?
The IUPAC name of 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine (CID 20773083) is 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine is CC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCC2.
What is the InChIKey of 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine?
The InChIKey is YOGYPMGMAUKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-15(2,3)17-11-9-13-8-7-10-18(14(13)12-17)16(4,5)6/h9,11H,7-8,10,12H2,1-6H3.
What are the key properties of 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine?
1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine has a molecular weight of 248.41 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-ditert-butyl-2,3,4,8-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 20773083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).