7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine

C13H20N2 — CID 20655702

IUPAC7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
SMILESCN1CCCc2ccc(C(C)(C)C)nc21
InChIInChI=1S/C13H20N2/c1-13(2,3)11-8-7-10-6-5-9-15(4)12(10)14-11/h7-8H,5-6,9H2,1-4H3
InChIKeyUKIFTMCLSKSCHP-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.76
Rot. Bonds

About 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine

7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 20655702) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID20655702
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine
SMILESCN1CCCc2ccc(C(C)(C)C)nc21
InChIInChI=1S/C13H20N2/c1-13(2,3)11-8-7-10-6-5-9-15(4)12(10)14-11/h7-8H,5-6,9H2,1-4H3
InChIKeyUKIFTMCLSKSCHP-UHFFFAOYSA-N
XLogP2.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine (CID 20655702) is 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine is CN1CCCc2ccc(C(C)(C)C)nc21.
What is the InChIKey of 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is UKIFTMCLSKSCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-13(2,3)11-8-7-10-6-5-9-15(4)12(10)14-11/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine?
7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 204.32 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-methyl-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 20655702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).