[3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine

C10H17NO — CID 117275024

IUPAC[3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
SMILESCOCC1C2C=CC(C2)C1CN
InChIInChI=1S/C10H17NO/c1-12-6-10-8-3-2-7(4-8)9(10)5-11/h2-3,7-10H,4-6,11H2,1H3
InChIKeyJMKZVADXZGEAJZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.03
Rot. Bonds3

About [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine

[3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine (PubChem CID 117275024) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
PubChem CID117275024
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
SMILESCOCC1C2C=CC(C2)C1CN
InChIInChI=1S/C10H17NO/c1-12-6-10-8-3-2-7(4-8)9(10)5-11/h2-3,7-10H,4-6,11H2,1H3
InChIKeyJMKZVADXZGEAJZ-UHFFFAOYSA-N
XLogP1.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine 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 [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The IUPAC name of [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine (CID 117275024) is [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The canonical SMILES for [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine is COCC1C2C=CC(C2)C1CN.
What is the InChIKey of [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
The InChIKey is JMKZVADXZGEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-12-6-10-8-3-2-7(4-8)9(10)5-11/h2-3,7-10H,4-6,11H2,1H3.
What are the key properties of [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine?
[3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine has a molecular weight of 167.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanamine is sourced from PubChem (CID 117275024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).