6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine

C13H22N2 — CID 142358588

IUPAC6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
SMILESCCC(C)N1CCC2=C(CCC(C)=N2)C1
InChIInChI=1S/C13H22N2/c1-4-11(3)15-8-7-13-12(9-15)6-5-10(2)14-13/h11H,4-9H2,1-3H3
InChIKeyGKLGOIHERQKOBA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.00
Rot. Bonds2

About 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine

6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine (PubChem CID 142358588) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine.

Molecular Properties

Compound Name6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
PubChem CID142358588
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
SMILESCCC(C)N1CCC2=C(CCC(C)=N2)C1
InChIInChI=1S/C13H22N2/c1-4-11(3)15-8-7-13-12(9-15)6-5-10(2)14-13/h11H,4-9H2,1-3H3
InChIKeyGKLGOIHERQKOBA-UHFFFAOYSA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-di(propan-2-yl)-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
CID 58748059
2-Methyl-6-propan-2-yl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 131997933
2-Methyl-5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 131997936
6-cyclohexyl-2-propan-2-yl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine
CID 142358585
1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-1-imine
CID 145046716
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
CID 163465018
1-Butyl-2,3,5,6,7,8-hexahydroquinolin-1-ium-4-amine
CID 134103531
2,5-Dimethyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 153199421

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine?
The IUPAC name of 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine (CID 142358588) is 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine.
What is the SMILES notation for 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine?
The canonical SMILES for 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine is CCC(C)N1CCC2=C(CCC(C)=N2)C1.
What is the InChIKey of 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine?
The InChIKey is GKLGOIHERQKOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11(3)15-8-7-13-12(9-15)6-5-10(2)14-13/h11H,4-9H2,1-3H3.
What are the key properties of 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine?
6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine has a molecular weight of 206.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-2-methyl-4,5,7,8-tetrahydro-3H-1,6-naphthyridine is sourced from PubChem (CID 142358588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).