1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol

C15H27NO — CID 66178881

IUPAC1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C15H27NO/c1-11(2)8-15(3,17)10-16-9-14-7-12-4-5-13(14)6-12/h4-5,11-14,16-17H,6-10H2,1-3H3
InChIKeyOMYGJBCZEFPKSX-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.59
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol

1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol (PubChem CID 66178881) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
PubChem CID66178881
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCC1CC2C=CC1C2
InChIInChI=1S/C15H27NO/c1-11(2)8-15(3,17)10-16-9-14-7-12-4-5-13(14)6-12/h4-5,11-14,16-17H,6-10H2,1-3H3
InChIKeyOMYGJBCZEFPKSX-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.59
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)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol (CID 66178881) is 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol?
The InChIKey is OMYGJBCZEFPKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)8-15(3,17)10-16-9-14-7-12-4-5-13(14)6-12/h4-5,11-14,16-17H,6-10H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol?
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2,4-dimethylpentan-2-ol has a molecular weight of 237.39 g/mol, XLogP of 2.59, 6 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)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66178881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).