N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine

C13H15ClN2 — CID 83163615

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine
SMILESClc1ccncc1NCC1CC2C=CC1C2
InChIInChI=1S/C13H15ClN2/c14-12-3-4-15-8-13(12)16-7-11-6-9-1-2-10(11)5-9/h1-4,8-11,16H,5-7H2
InChIKeyWQJUACYIUCBOOI-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.36
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine (PubChem CID 83163615) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine
PubChem CID83163615
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine
SMILESClc1ccncc1NCC1CC2C=CC1C2
InChIInChI=1S/C13H15ClN2/c14-12-3-4-15-8-13(12)16-7-11-6-9-1-2-10(11)5-9/h1-4,8-11,16H,5-7H2
InChIKeyWQJUACYIUCBOOI-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine (CID 83163615) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine is Clc1ccncc1NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine?
The InChIKey is WQJUACYIUCBOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-12-3-4-15-8-13(12)16-7-11-6-9-1-2-10(11)5-9/h1-4,8-11,16H,5-7H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine has a molecular weight of 234.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chloropyridin-3-amine is sourced from PubChem (CID 83163615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).