3-purin-9-ylnonan-1-ol

C14H22N4O — CID 156697631

IUPAC3-purin-9-ylnonan-1-ol
SMILESCCCCCCC(CCO)n1cnc2cncnc21
InChIInChI=1S/C14H22N4O/c1-2-3-4-5-6-12(7-8-19)18-11-17-13-9-15-10-16-14(13)18/h9-12,19H,2-8H2,1H3
InChIKeyHOGLFRORCCSGHA-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.72
Rot. Bonds8

About 3-purin-9-ylnonan-1-ol

3-purin-9-ylnonan-1-ol (PubChem CID 156697631) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-purin-9-ylnonan-1-ol.

Molecular Properties

Compound Name3-purin-9-ylnonan-1-ol
PubChem CID156697631
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-purin-9-ylnonan-1-ol
SMILESCCCCCCC(CCO)n1cnc2cncnc21
InChIInChI=1S/C14H22N4O/c1-2-3-4-5-6-12(7-8-19)18-11-17-13-9-15-10-16-14(13)18/h9-12,19H,2-8H2,1H3
InChIKeyHOGLFRORCCSGHA-UHFFFAOYSA-N
XLogP2.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-purin-9-ylnonan-1-ol?
The IUPAC name of 3-purin-9-ylnonan-1-ol (CID 156697631) is 3-purin-9-ylnonan-1-ol.
What is the SMILES notation for 3-purin-9-ylnonan-1-ol?
The canonical SMILES for 3-purin-9-ylnonan-1-ol is CCCCCCC(CCO)n1cnc2cncnc21.
What is the InChIKey of 3-purin-9-ylnonan-1-ol?
The InChIKey is HOGLFRORCCSGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-3-4-5-6-12(7-8-19)18-11-17-13-9-15-10-16-14(13)18/h9-12,19H,2-8H2,1H3.
What are the key properties of 3-purin-9-ylnonan-1-ol?
3-purin-9-ylnonan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-purin-9-ylnonan-1-ol is sourced from PubChem (CID 156697631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).