2-benzyl-2,3,4,5-tetrahydropyridin-6-amine

C12H16N2 — CID 10656792

IUPAC2-benzyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NC(Cc2ccccc2)CCC1
InChIInChI=1S/C12H16N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14)
InChIKeySGCVJGBIFFHASJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.14
Rot. Bonds2

About 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine

2-benzyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 10656792) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound Name2-benzyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID10656792
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-benzyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESNC1=NC(Cc2ccccc2)CCC1
InChIInChI=1S/C12H16N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14)
InChIKeySGCVJGBIFFHASJ-UHFFFAOYSA-N
XLogP2.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-2,3,4,5-tetrahydropyridin-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-benzyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine (CID 10656792) is 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine is NC1=NC(Cc2ccccc2)CCC1.
What is the InChIKey of 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is SGCVJGBIFFHASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-12-8-4-7-11(14-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,13,14).
What are the key properties of 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine?
2-benzyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 188.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 10656792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).