2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol

C13H23NO — CID 20649891

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol
SMILESCCCCC(CO)NC1CC2C=CC1C2
InChIInChI=1S/C13H23NO/c1-2-3-4-12(9-15)14-13-8-10-5-6-11(13)7-10/h5-6,10-15H,2-4,7-9H2,1H3
InChIKeyZTYDNMSGMLTZCT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.09
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol

2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol (PubChem CID 20649891) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol
PubChem CID20649891
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol
SMILESCCCCC(CO)NC1CC2C=CC1C2
InChIInChI=1S/C13H23NO/c1-2-3-4-12(9-15)14-13-8-10-5-6-11(13)7-10/h5-6,10-15H,2-4,7-9H2,1H3
InChIKeyZTYDNMSGMLTZCT-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.09
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 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol (CID 20649891) is 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol is CCCCC(CO)NC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol?
The InChIKey is ZTYDNMSGMLTZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-4-12(9-15)14-13-8-10-5-6-11(13)7-10/h5-6,10-15H,2-4,7-9H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol?
2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylamino)hexan-1-ol is sourced from PubChem (CID 20649891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).