1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine

C16H19N3 — CID 80648841

IUPAC1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
SMILESc1cncc(CNCc2cccc3c2NCCC3)c1
InChIInChI=1S/C16H19N3/c1-5-14-7-3-9-19-16(14)15(6-1)12-18-11-13-4-2-8-17-10-13/h1-2,4-6,8,10,18-19H,3,7,9,11-12H2
InChIKeyQWKKPJZWRWKFRF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.73
Rot. Bonds4

About 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine

1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine (PubChem CID 80648841) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
PubChem CID80648841
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine
SMILESc1cncc(CNCc2cccc3c2NCCC3)c1
InChIInChI=1S/C16H19N3/c1-5-14-7-3-9-19-16(14)15(6-1)12-18-11-13-4-2-8-17-10-13/h1-2,4-6,8,10,18-19H,3,7,9,11-12H2
InChIKeyQWKKPJZWRWKFRF-UHFFFAOYSA-N
XLogP2.73
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine 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 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine (CID 80648841) is 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine is c1cncc(CNCc2cccc3c2NCCC3)c1.
What is the InChIKey of 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
The InChIKey is QWKKPJZWRWKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-5-14-7-3-9-19-16(14)15(6-1)12-18-11-13-4-2-8-17-10-13/h1-2,4-6,8,10,18-19H,3,7,9,11-12H2.
What are the key properties of 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine?
1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine has a molecular weight of 253.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 80648841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).