2-N-cyclobutylquinoline-2,6-diamine

C13H15N3 — CID 62414145

IUPAC2-N-cyclobutylquinoline-2,6-diamine
SMILESNc1ccc2nc(NC3CCC3)ccc2c1
InChIInChI=1S/C13H15N3/c14-10-5-6-12-9(8-10)4-7-13(16-12)15-11-2-1-3-11/h4-8,11H,1-3,14H2,(H,15,16)
InChIKeyGIIUIYJCRJLLLB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.78
Rot. Bonds2

About 2-N-cyclobutylquinoline-2,6-diamine

2-N-cyclobutylquinoline-2,6-diamine (PubChem CID 62414145) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-N-cyclobutylquinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclobutylquinoline-2,6-diamine
PubChem CID62414145
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-N-cyclobutylquinoline-2,6-diamine
SMILESNc1ccc2nc(NC3CCC3)ccc2c1
InChIInChI=1S/C13H15N3/c14-10-5-6-12-9(8-10)4-7-13(16-12)15-11-2-1-3-11/h4-8,11H,1-3,14H2,(H,15,16)
InChIKeyGIIUIYJCRJLLLB-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclobutylquinoline-2,6-diamine?
The IUPAC name of 2-N-cyclobutylquinoline-2,6-diamine (CID 62414145) is 2-N-cyclobutylquinoline-2,6-diamine.
What is the SMILES notation for 2-N-cyclobutylquinoline-2,6-diamine?
The canonical SMILES for 2-N-cyclobutylquinoline-2,6-diamine is Nc1ccc2nc(NC3CCC3)ccc2c1.
What is the InChIKey of 2-N-cyclobutylquinoline-2,6-diamine?
The InChIKey is GIIUIYJCRJLLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-10-5-6-12-9(8-10)4-7-13(16-12)15-11-2-1-3-11/h4-8,11H,1-3,14H2,(H,15,16).
What are the key properties of 2-N-cyclobutylquinoline-2,6-diamine?
2-N-cyclobutylquinoline-2,6-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclobutylquinoline-2,6-diamine is sourced from PubChem (CID 62414145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).