1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine

C10H17N — CID 59748264

IUPAC1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
SMILESCC(N)C1C2C=CC(C2)C1C
InChIInChI=1S/C10H17N/c1-6-8-3-4-9(5-8)10(6)7(2)11/h3-4,6-10H,5,11H2,1-2H3
InChIKeyQQNJJEILMBZFKX-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.79
Rot. Bonds1

About 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine

1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine (PubChem CID 59748264) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine.

Molecular Properties

Compound Name1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
PubChem CID59748264
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
SMILESCC(N)C1C2C=CC(C2)C1C
InChIInChI=1S/C10H17N/c1-6-8-3-4-9(5-8)10(6)7(2)11/h3-4,6-10H,5,11H2,1-2H3
InChIKeyQQNJJEILMBZFKX-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.79
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-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The IUPAC name of 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine (CID 59748264) is 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine.
What is the SMILES notation for 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The canonical SMILES for 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine is CC(N)C1C2C=CC(C2)C1C.
What is the InChIKey of 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The InChIKey is QQNJJEILMBZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-6-8-3-4-9(5-8)10(6)7(2)11/h3-4,6-10H,5,11H2,1-2H3.
What are the key properties of 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine has a molecular weight of 151.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine is sourced from PubChem (CID 59748264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).