1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol

C13H23NO — CID 65108424

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C13H23NO/c1-3-13(2,15)9-14-8-12-7-10-4-5-11(12)6-10/h4-5,10-12,14-15H,3,6-9H2,1-2H3
InChIKeyPUSJTDSSAMWBEY-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol

1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol (PubChem CID 65108424) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol
PubChem CID65108424
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C13H23NO/c1-3-13(2,15)9-14-8-12-7-10-4-5-11(12)6-10/h4-5,10-12,14-15H,3,6-9H2,1-2H3
InChIKeyPUSJTDSSAMWBEY-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 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol (CID 65108424) is 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol is CCC(C)(O)CNCC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol?
The InChIKey is PUSJTDSSAMWBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-13(2,15)9-14-8-12-7-10-4-5-11(12)6-10/h4-5,10-12,14-15H,3,6-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol?
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-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 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 65108424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).