4-N-(2-methylpropyl)quinoline-3,4-diamine

C13H17N3 — CID 11298872

IUPAC4-N-(2-methylpropyl)quinoline-3,4-diamine
SMILESCC(C)CNc1c(N)cnc2ccccc12
InChIInChI=1S/C13H17N3/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyJFMKIQOIIMSWIM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.88
Rot. Bonds3

About 4-N-(2-methylpropyl)quinoline-3,4-diamine

4-N-(2-methylpropyl)quinoline-3,4-diamine (PubChem CID 11298872) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)quinoline-3,4-diamine
PubChem CID11298872
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-N-(2-methylpropyl)quinoline-3,4-diamine
SMILESCC(C)CNc1c(N)cnc2ccccc12
InChIInChI=1S/C13H17N3/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyJFMKIQOIIMSWIM-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-methylpropyl)quinoline-3,4-diamine (CID 11298872) is 4-N-(2-methylpropyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-methylpropyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-methylpropyl)quinoline-3,4-diamine is CC(C)CNc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(2-methylpropyl)quinoline-3,4-diamine?
The InChIKey is JFMKIQOIIMSWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)7-16-13-10-5-3-4-6-12(10)15-8-11(13)14/h3-6,8-9H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-N-(2-methylpropyl)quinoline-3,4-diamine?
4-N-(2-methylpropyl)quinoline-3,4-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)quinoline-3,4-diamine is sourced from PubChem (CID 11298872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).