N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine

C14H17N3 — CID 67176744

IUPACN-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine
SMILESC1=CCC2CCCN(Nc3ccccn3)C2=C1
InChIInChI=1S/C14H17N3/c1-2-8-13-12(6-1)7-5-11-17(13)16-14-9-3-4-10-15-14/h1-4,8-10,12H,5-7,11H2,(H,15,16)
InChIKeyXMNLZSSPSGOPHK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.96
Rot. Bonds2

About N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine

N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine (PubChem CID 67176744) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine
PubChem CID67176744
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine
SMILESC1=CCC2CCCN(Nc3ccccn3)C2=C1
InChIInChI=1S/C14H17N3/c1-2-8-13-12(6-1)7-5-11-17(13)16-14-9-3-4-10-15-14/h1-4,8-10,12H,5-7,11H2,(H,15,16)
InChIKeyXMNLZSSPSGOPHK-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-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 N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine?
The IUPAC name of N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine (CID 67176744) is N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine.
What is the SMILES notation for N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine?
The canonical SMILES for N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine is C1=CCC2CCCN(Nc3ccccn3)C2=C1.
What is the InChIKey of N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine?
The InChIKey is XMNLZSSPSGOPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-8-13-12(6-1)7-5-11-17(13)16-14-9-3-4-10-15-14/h1-4,8-10,12H,5-7,11H2,(H,15,16).
What are the key properties of N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine?
N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-3,4,4a,5-tetrahydro-2H-quinolin-1-amine is sourced from PubChem (CID 67176744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).