N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen

C₁₂H₂₅N — CID 156748963

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen (PubChem CID 156748963) has the molecular formula C₁₂H₂₅N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen
• PubChem CID: 156748963
• Molecular Formula: C₁₂H₂₅N
• Molecular Weight: 183.34 g/mol
• Exact Mass: 183.20
• IUPAC Name: N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen
• SMILES: CC.CCNCC1CC2C=CC1C2.[H][H]
• InChI: InChI=1S/C10H17N.C2H6.H2/c1-2-11-7-10-6-8-3-4-9(10)5-8;1-2;/h3-4,8-11H,2,5-7H2,1H3;1-2H3;1H
• InChIKey: FGLWVFJNCNFDLM-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.34
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen?

The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen (CID 156748963) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen.

What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen?

The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen is CC.CCNCC1CC2C=CC1C2.[H][H].

What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen?

The InChIKey is FGLWVFJNCNFDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H6.H2/c1-2-11-7-10-6-8-3-4-9(10)5-8;1-2;/h3-4,8-11H,2,5-7H2,1H3;1-2H3;1H.

What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen?

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen has a molecular weight of 183.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen is sourced from PubChem (CID 156748963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156748963 — identifiers, structure, computed properties (public domain)

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