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

C12H16N2 — CID 3238144

IUPACN-benzyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESc1ccc(CNC2=NCCCC2)cc1
InChIInChI=1S/C12H16N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-3,6-7H,4-5,8-10H2,(H,13,14)
InChIKeyPGFZDZNWYLYLID-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.36
Rot. Bonds2

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

N-benzyl-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 3238144) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-benzyl-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-benzyl-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID3238144
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN-benzyl-2,3,4,5-tetrahydropyridin-6-amine
SMILESc1ccc(CNC2=NCCCC2)cc1
InChIInChI=1S/C12H16N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-3,6-7H,4-5,8-10H2,(H,13,14)
InChIKeyPGFZDZNWYLYLID-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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2-(1,4,5,6-Tetrahydropyrimidin-2-yl)benzenethiol
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-benzyl-2,3,4,5-tetrahydropyridin-6-amine (CID 3238144) is N-benzyl-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-benzyl-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-benzyl-2,3,4,5-tetrahydropyridin-6-amine is c1ccc(CNC2=NCCCC2)cc1.
What is the InChIKey of N-benzyl-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is PGFZDZNWYLYLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-3,6-7H,4-5,8-10H2,(H,13,14).
What are the key properties of N-benzyl-2,3,4,5-tetrahydropyridin-6-amine?
N-benzyl-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 188.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 3238144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).