N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine

C15H22N2O — CID 113370946

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NC1CC2CCC1C2
InChIInChI=1S/C15H22N2O/c1-2-8-18-14-4-3-7-16-15(14)17-13-10-11-5-6-12(13)9-11/h3-4,7,11-13H,2,5-6,8-10H2,1H3,(H,16,17)
InChIKeyKQGOWEIKMVNCAJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.47
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine

N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine (PubChem CID 113370946) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine
PubChem CID113370946
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NC1CC2CCC1C2
InChIInChI=1S/C15H22N2O/c1-2-8-18-14-4-3-7-16-15(14)17-13-10-11-5-6-12(13)9-11/h3-4,7,11-13H,2,5-6,8-10H2,1H3,(H,16,17)
InChIKeyKQGOWEIKMVNCAJ-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-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-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine (CID 113370946) is N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine is CCCOc1cccnc1NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine?
The InChIKey is KQGOWEIKMVNCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-8-18-14-4-3-7-16-15(14)17-13-10-11-5-6-12(13)9-11/h3-4,7,11-13H,2,5-6,8-10H2,1H3,(H,16,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine has a molecular weight of 246.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine is sourced from PubChem (CID 113370946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).