6-N-cyclopropylquinoline-5,6-diamine

C12H13N3 — CID 43809527

IUPAC6-N-cyclopropylquinoline-5,6-diamine
SMILESNc1c(NC2CC2)ccc2ncccc12
InChIInChI=1S/C12H13N3/c13-12-9-2-1-7-14-10(9)5-6-11(12)15-8-3-4-8/h1-2,5-8,15H,3-4,13H2
InChIKeyUFUVKIDBSOKXGZ-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.39
Rot. Bonds2

About 6-N-cyclopropylquinoline-5,6-diamine

6-N-cyclopropylquinoline-5,6-diamine (PubChem CID 43809527) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 6-N-cyclopropylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropylquinoline-5,6-diamine
PubChem CID43809527
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name6-N-cyclopropylquinoline-5,6-diamine
SMILESNc1c(NC2CC2)ccc2ncccc12
InChIInChI=1S/C12H13N3/c13-12-9-2-1-7-14-10(9)5-6-11(12)15-8-3-4-8/h1-2,5-8,15H,3-4,13H2
InChIKeyUFUVKIDBSOKXGZ-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.39
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 6-N-cyclopropylquinoline-5,6-diamine?
The IUPAC name of 6-N-cyclopropylquinoline-5,6-diamine (CID 43809527) is 6-N-cyclopropylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-cyclopropylquinoline-5,6-diamine?
The canonical SMILES for 6-N-cyclopropylquinoline-5,6-diamine is Nc1c(NC2CC2)ccc2ncccc12.
What is the InChIKey of 6-N-cyclopropylquinoline-5,6-diamine?
The InChIKey is UFUVKIDBSOKXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-12-9-2-1-7-14-10(9)5-6-11(12)15-8-3-4-8/h1-2,5-8,15H,3-4,13H2.
What are the key properties of 6-N-cyclopropylquinoline-5,6-diamine?
6-N-cyclopropylquinoline-5,6-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropylquinoline-5,6-diamine is sourced from PubChem (CID 43809527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).