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

C10H17N — CID 59748331

IUPAC2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
SMILESCC1C2C=CC(C2)C1CCN
InChIInChI=1S/C10H17N/c1-7-8-2-3-9(6-8)10(7)4-5-11/h2-3,7-10H,4-6,11H2,1H3
InChIKeyYBCSPIZJSJFCBI-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.79
Rot. Bonds2

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

2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine (PubChem CID 59748331) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
PubChem CID59748331
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
SMILESCC1C2C=CC(C2)C1CCN
InChIInChI=1S/C10H17N/c1-7-8-2-3-9(6-8)10(7)4-5-11/h2-3,7-10H,4-6,11H2,1H3
InChIKeyYBCSPIZJSJFCBI-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The IUPAC name of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine (CID 59748331) is 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine.
What is the SMILES notation for 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The canonical SMILES for 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine is CC1C2C=CC(C2)C1CCN.
What is the InChIKey of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The InChIKey is YBCSPIZJSJFCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-8-2-3-9(6-8)10(7)4-5-11/h2-3,7-10H,4-6,11H2,1H3.
What are the key properties of 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine has a molecular weight of 151.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine is sourced from PubChem (CID 59748331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).