N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

C13H16N2O2 — CID 79508059

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESc1cc2c(cc1CNC1=NCCCC1)OCO2
InChIInChI=1S/C13H16N2O2/c1-2-6-14-13(3-1)15-8-10-4-5-11-12(7-10)17-9-16-11/h4-5,7H,1-3,6,8-9H2,(H,14,15)
InChIKeySBHWUTRROVMVGJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.09
Rot. Bonds2

About N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508059) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508059
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESc1cc2c(cc1CNC1=NCCCC1)OCO2
InChIInChI=1S/C13H16N2O2/c1-2-6-14-13(3-1)15-8-10-4-5-11-12(7-10)17-9-16-11/h4-5,7H,1-3,6,8-9H2,(H,14,15)
InChIKeySBHWUTRROVMVGJ-UHFFFAOYSA-N
XLogP2.09
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-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

Related Compounds

1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-N,4-N-bis(1,3-benzodioxol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 177395032
N-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 53192864
N-(1,3-benzodioxol-5-ylmethyl)-2,4,5-trifluoroaniline
CID 62814652
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxamide
CID 79006050
N-(1,3-benzodioxol-5-ylmethyl)pyrimidin-4-amine
CID 62907156
6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylic acid
CID 62907498
4-N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62905602
N-(1,3-benzodioxol-5-ylmethyl)-3,5,6-trichloropyridin-2-amine
CID 102751013
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-3-methylaniline
CID 720553
2-(1,3-benzodioxol-5-ylmethylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812905

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79508059) is N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is c1cc2c(cc1CNC1=NCCCC1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is SBHWUTRROVMVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-6-14-13(3-1)15-8-10-4-5-11-12(7-10)17-9-16-11/h4-5,7H,1-3,6,8-9H2,(H,14,15).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 232.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).