5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol

C18H27NO — CID 106122690

IUPAC5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol
SMILESCC(O)CCCNC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H27NO/c1-13(20)5-4-10-19-18-16-8-9-17(18)12-15-7-3-2-6-14(15)11-16/h2-3,6-7,13,16-20H,4-5,8-12H2,1H3
InChIKeyMFFUKSIVRMBAAI-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.93
Rot. Bonds5

About 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol

5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol (PubChem CID 106122690) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol
PubChem CID106122690
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol
SMILESCC(O)CCCNC1C2CCC1Cc1ccccc1C2
InChIInChI=1S/C18H27NO/c1-13(20)5-4-10-19-18-16-8-9-17(18)12-15-7-3-2-6-14(15)11-16/h2-3,6-7,13,16-20H,4-5,8-12H2,1H3
InChIKeyMFFUKSIVRMBAAI-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol?
The IUPAC name of 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol (CID 106122690) is 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol.
What is the SMILES notation for 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol?
The canonical SMILES for 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol is CC(O)CCCNC1C2CCC1Cc1ccccc1C2.
What is the InChIKey of 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol?
The InChIKey is MFFUKSIVRMBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(20)5-4-10-19-18-16-8-9-17(18)12-15-7-3-2-6-14(15)11-16/h2-3,6-7,13,16-20H,4-5,8-12H2,1H3.
What are the key properties of 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol?
5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)pentan-2-ol is sourced from PubChem (CID 106122690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).