1-bicyclo[2.2.1]hept-2-enylmethanamine

C8H13N — CID 66605983

IUPAC1-bicyclo[2.2.1]hept-2-enylmethanamine
SMILESNCC12C=CC(CC1)C2
InChIInChI=1S/C8H13N/c9-6-8-3-1-7(5-8)2-4-8/h1,3,7H,2,4-6,9H2
InChIKeyWCCUHUFYLYPMOC-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.30
Rot. Bonds1

About 1-bicyclo[2.2.1]hept-2-enylmethanamine

1-bicyclo[2.2.1]hept-2-enylmethanamine (PubChem CID 66605983) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enylmethanamine.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enylmethanamine
PubChem CID66605983
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-bicyclo[2.2.1]hept-2-enylmethanamine
SMILESNCC12C=CC(CC1)C2
InChIInChI=1S/C8H13N/c9-6-8-3-1-7(5-8)2-4-8/h1,3,7H,2,4-6,9H2
InChIKeyWCCUHUFYLYPMOC-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-bicyclo[2.2.1]hept-2-enylmethanamine?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethanamine (CID 66605983) is 1-bicyclo[2.2.1]hept-2-enylmethanamine.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enylmethanamine?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enylmethanamine is NCC12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enylmethanamine?
The InChIKey is WCCUHUFYLYPMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c9-6-8-3-1-7(5-8)2-4-8/h1,3,7H,2,4-6,9H2.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enylmethanamine?
1-bicyclo[2.2.1]hept-2-enylmethanamine has a molecular weight of 123.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enylmethanamine is sourced from PubChem (CID 66605983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).