4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol

C13H23NO — CID 64912181

IUPAC4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)C1CC2C=CC1C2
InChIInChI=1S/C13H23NO/c1-9(15)5-6-14-10(2)13-8-11-3-4-12(13)7-11/h3-4,9-15H,5-8H2,1-2H3
InChIKeyVFNONFCIOGOFLC-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.95
Rot. Bonds5

About 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol

4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol (PubChem CID 64912181) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol
PubChem CID64912181
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol
SMILESCC(O)CCNC(C)C1CC2C=CC1C2
InChIInChI=1S/C13H23NO/c1-9(15)5-6-14-10(2)13-8-11-3-4-12(13)7-11/h3-4,9-15H,5-8H2,1-2H3
InChIKeyVFNONFCIOGOFLC-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol (CID 64912181) is 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol is CC(O)CCNC(C)C1CC2C=CC1C2.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol?
The InChIKey is VFNONFCIOGOFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(15)5-6-14-10(2)13-8-11-3-4-12(13)7-11/h3-4,9-15H,5-8H2,1-2H3.
What are the key properties of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol?
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol has a molecular weight of 209.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butan-2-ol is sourced from PubChem (CID 64912181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).