4-N-cyclopropylquinoline-4,8-diamine

C12H13N3 — CID 83059537

IUPAC4-N-cyclopropylquinoline-4,8-diamine
SMILESNc1cccc2c(NC3CC3)ccnc12
InChIInChI=1S/C12H13N3/c13-10-3-1-2-9-11(15-8-4-5-8)6-7-14-12(9)10/h1-3,6-8H,4-5,13H2,(H,14,15)
InChIKeyCIMDAJYPTVBXMK-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.39
Rot. Bonds2

About 4-N-cyclopropylquinoline-4,8-diamine

4-N-cyclopropylquinoline-4,8-diamine (PubChem CID 83059537) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-N-cyclopropylquinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-cyclopropylquinoline-4,8-diamine
PubChem CID83059537
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-N-cyclopropylquinoline-4,8-diamine
SMILESNc1cccc2c(NC3CC3)ccnc12
InChIInChI=1S/C12H13N3/c13-10-3-1-2-9-11(15-8-4-5-8)6-7-14-12(9)10/h1-3,6-8H,4-5,13H2,(H,14,15)
InChIKeyCIMDAJYPTVBXMK-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 4-N-cyclopropylquinoline-4,8-diamine?
The IUPAC name of 4-N-cyclopropylquinoline-4,8-diamine (CID 83059537) is 4-N-cyclopropylquinoline-4,8-diamine.
What is the SMILES notation for 4-N-cyclopropylquinoline-4,8-diamine?
The canonical SMILES for 4-N-cyclopropylquinoline-4,8-diamine is Nc1cccc2c(NC3CC3)ccnc12.
What is the InChIKey of 4-N-cyclopropylquinoline-4,8-diamine?
The InChIKey is CIMDAJYPTVBXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-10-3-1-2-9-11(15-8-4-5-8)6-7-14-12(9)10/h1-3,6-8H,4-5,13H2,(H,14,15).
What are the key properties of 4-N-cyclopropylquinoline-4,8-diamine?
4-N-cyclopropylquinoline-4,8-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 4-N-cyclopropylquinoline-4,8-diamine is sourced from PubChem (CID 83059537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).