6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine

C13H20N2 — CID 3058700

IUPAC6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)CCN1CCc2ncccc2C1
InChIInChI=1S/C13H20N2/c1-11(2)5-8-15-9-6-13-12(10-15)4-3-7-14-13/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyRDNBJISVKCCHBQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.49
Rot. Bonds3

About 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine

6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058700) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058700
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)CCN1CCc2ncccc2C1
InChIInChI=1S/C13H20N2/c1-11(2)5-8-15-9-6-13-12(10-15)4-3-7-14-13/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyRDNBJISVKCCHBQ-UHFFFAOYSA-N
XLogP2.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 3058700) is 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine is CC(C)CCN1CCc2ncccc2C1.
What is the InChIKey of 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is RDNBJISVKCCHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(2)5-8-15-9-6-13-12(10-15)4-3-7-14-13/h3-4,7,11H,5-6,8-10H2,1-2H3.
What are the key properties of 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine?
6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 204.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).