1-bicyclo[2.2.1]hept-2-enylmethanediamine

C8H14N2 — CID 68740290

IUPAC1-bicyclo[2.2.1]hept-2-enylmethanediamine
SMILESNC(N)C12C=CC(CC1)C2
InChIInChI=1S/C8H14N2/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6-7H,2,4-5,9-10H2
InChIKeyVJGJYXNRYBYDLM-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.59
Rot. Bonds1

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

1-bicyclo[2.2.1]hept-2-enylmethanediamine (PubChem CID 68740290) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enylmethanediamine.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enylmethanediamine
PubChem CID68740290
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-bicyclo[2.2.1]hept-2-enylmethanediamine
SMILESNC(N)C12C=CC(CC1)C2
InChIInChI=1S/C8H14N2/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6-7H,2,4-5,9-10H2
InChIKeyVJGJYXNRYBYDLM-UHFFFAOYSA-N
XLogP0.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-enylmethanediamine?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethanediamine (CID 68740290) is 1-bicyclo[2.2.1]hept-2-enylmethanediamine.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enylmethanediamine?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enylmethanediamine is NC(N)C12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enylmethanediamine?
The InChIKey is VJGJYXNRYBYDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6-7H,2,4-5,9-10H2.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enylmethanediamine?
1-bicyclo[2.2.1]hept-2-enylmethanediamine has a molecular weight of 138.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enylmethanediamine is sourced from PubChem (CID 68740290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).