2-propylquinolin-6-amine

C12H14N2 — CID 130537701

IUPAC2-propylquinolin-6-amine
SMILESCCCc1ccc2cc(N)ccc2n1
InChIInChI=1S/C12H14N2/c1-2-3-11-6-4-9-8-10(13)5-7-12(9)14-11/h4-8H,2-3,13H2,1H3
InChIKeyHGJCWFWIFVLHSQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.77
Rot. Bonds2

About 2-propylquinolin-6-amine

2-propylquinolin-6-amine (PubChem CID 130537701) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-propylquinolin-6-amine.

Molecular Properties

Compound Name2-propylquinolin-6-amine
PubChem CID130537701
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-propylquinolin-6-amine
SMILESCCCc1ccc2cc(N)ccc2n1
InChIInChI=1S/C12H14N2/c1-2-3-11-6-4-9-8-10(13)5-7-12(9)14-11/h4-8H,2-3,13H2,1H3
InChIKeyHGJCWFWIFVLHSQ-UHFFFAOYSA-N
XLogP2.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propylquinolin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propylquinolin-6-amine?
The IUPAC name of 2-propylquinolin-6-amine (CID 130537701) is 2-propylquinolin-6-amine.
What is the SMILES notation for 2-propylquinolin-6-amine?
The canonical SMILES for 2-propylquinolin-6-amine is CCCc1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-propylquinolin-6-amine?
The InChIKey is HGJCWFWIFVLHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-3-11-6-4-9-8-10(13)5-7-12(9)14-11/h4-8H,2-3,13H2,1H3.
What are the key properties of 2-propylquinolin-6-amine?
2-propylquinolin-6-amine has a molecular weight of 186.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylquinolin-6-amine is sourced from PubChem (CID 130537701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).