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

C12H21N — CID 59748344

IUPAC2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
SMILESCCCC1C2C=CC(C2)C1CCN
InChIInChI=1S/C12H21N/c1-2-3-11-9-4-5-10(8-9)12(11)6-7-13/h4-5,9-12H,2-3,6-8,13H2,1H3
InChIKeyGGKHAKITYNRLJW-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds4

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

2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine (PubChem CID 59748344) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine.

Molecular Properties

Compound Name2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
PubChem CID59748344
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine
SMILESCCCC1C2C=CC(C2)C1CCN
InChIInChI=1S/C12H21N/c1-2-3-11-9-4-5-10(8-9)12(11)6-7-13/h4-5,9-12H,2-3,6-8,13H2,1H3
InChIKeyGGKHAKITYNRLJW-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.57
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-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The IUPAC name of 2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine (CID 59748344) is 2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine.
What is the SMILES notation for 2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The canonical SMILES for 2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine is CCCC1C2C=CC(C2)C1CCN.
What is the InChIKey of 2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
The InChIKey is GGKHAKITYNRLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-3-11-9-4-5-10(8-9)12(11)6-7-13/h4-5,9-12H,2-3,6-8,13H2,1H3.
What are the key properties of 2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine?
2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-2-bicyclo[2.2.1]hept-5-enyl)ethanamine is sourced from PubChem (CID 59748344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).