N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine

C13H17N3 — CID 71160428

IUPACN-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine
SMILESCCC(C)Nc1nc(C)cc2cnccc12
InChIInChI=1S/C13H17N3/c1-4-9(2)15-13-12-5-6-14-8-11(12)7-10(3)16-13/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyPPWUKMFLYSYAAM-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.15
Rot. Bonds3

About N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine

N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine (PubChem CID 71160428) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine
PubChem CID71160428
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine
SMILESCCC(C)Nc1nc(C)cc2cnccc12
InChIInChI=1S/C13H17N3/c1-4-9(2)15-13-12-5-6-14-8-11(12)7-10(3)16-13/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyPPWUKMFLYSYAAM-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine?
The IUPAC name of N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine (CID 71160428) is N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine.
What is the SMILES notation for N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine?
The canonical SMILES for N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine is CCC(C)Nc1nc(C)cc2cnccc12.
What is the InChIKey of N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine?
The InChIKey is PPWUKMFLYSYAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-9(2)15-13-12-5-6-14-8-11(12)7-10(3)16-13/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine?
N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-methyl-2,6-naphthyridin-1-amine is sourced from PubChem (CID 71160428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).