3-purin-9-ylnonan-2-ol

C14H22N4O — CID 21121780

IUPAC3-purin-9-ylnonan-2-ol
SMILESCCCCCCC(C(C)O)n1cnc2cncnc21
InChIInChI=1S/C14H22N4O/c1-3-4-5-6-7-13(11(2)19)18-10-17-12-8-15-9-16-14(12)18/h8-11,13,19H,3-7H2,1-2H3
InChIKeyZTSORWGHRMIOHU-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.72
Rot. Bonds7

About 3-purin-9-ylnonan-2-ol

3-purin-9-ylnonan-2-ol (PubChem CID 21121780) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-purin-9-ylnonan-2-ol.

Molecular Properties

Compound Name3-purin-9-ylnonan-2-ol
PubChem CID21121780
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-purin-9-ylnonan-2-ol
SMILESCCCCCCC(C(C)O)n1cnc2cncnc21
InChIInChI=1S/C14H22N4O/c1-3-4-5-6-7-13(11(2)19)18-10-17-12-8-15-9-16-14(12)18/h8-11,13,19H,3-7H2,1-2H3
InChIKeyZTSORWGHRMIOHU-UHFFFAOYSA-N
XLogP2.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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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Related Compounds

(2S,3R)-Ehna
CID 149790
(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
CID 149784
Ehna
CID 3206
(+)-Threo-9-(2-hydroxy-3-nonyl)adenine
CID 149792
5LD6S82A2N
CID 24197375
[9-[(2R,3S)-2-hydroxynonan-3-yl]purin-6-yl]azanium;chloride
CID 135450187
Erythro-9-(2-hydroxy-3-nonyl)adenine monohydrochloride
CID 11957547
6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol
CID 149793
9-(1-Oxiranyl-heptyl)-9H-purin-6-ylamine
CID 10084791
3-(6-Amino-purin-9-yl)-nonane-1,2-diol
CID 10402146
2-(6-Amino-purin-9-yl)-octan-1-ol
CID 11777551
(2S,3R)-3-(6-aminopurin-9-yl)-5-cyclohexylpentan-2-ol
CID 145978129

Frequently Asked Questions

What is the IUPAC name of 3-purin-9-ylnonan-2-ol?
The IUPAC name of 3-purin-9-ylnonan-2-ol (CID 21121780) is 3-purin-9-ylnonan-2-ol.
What is the SMILES notation for 3-purin-9-ylnonan-2-ol?
The canonical SMILES for 3-purin-9-ylnonan-2-ol is CCCCCCC(C(C)O)n1cnc2cncnc21.
What is the InChIKey of 3-purin-9-ylnonan-2-ol?
The InChIKey is ZTSORWGHRMIOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-4-5-6-7-13(11(2)19)18-10-17-12-8-15-9-16-14(12)18/h8-11,13,19H,3-7H2,1-2H3.
What are the key properties of 3-purin-9-ylnonan-2-ol?
3-purin-9-ylnonan-2-ol has a molecular weight of 262.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-purin-9-ylnonan-2-ol is sourced from PubChem (CID 21121780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).