9-(5-methyldecan-5-yl)purin-6-amine

C16H27N5 — CID 170323349

IUPAC9-(5-methyldecan-5-yl)purin-6-amine
SMILESCCCCCC(C)(CCCC)n1cnc2c(N)ncnc21
InChIInChI=1S/C16H27N5/c1-4-6-8-10-16(3,9-7-5-2)21-12-20-13-14(17)18-11-19-15(13)21/h11-12H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyBFJVFWFKORWDFR-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.89
Rot. Bonds8

About 9-(5-methyldecan-5-yl)purin-6-amine

9-(5-methyldecan-5-yl)purin-6-amine (PubChem CID 170323349) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 9-(5-methyldecan-5-yl)purin-6-amine.

Molecular Properties

Compound Name9-(5-methyldecan-5-yl)purin-6-amine
PubChem CID170323349
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name9-(5-methyldecan-5-yl)purin-6-amine
SMILESCCCCCC(C)(CCCC)n1cnc2c(N)ncnc21
InChIInChI=1S/C16H27N5/c1-4-6-8-10-16(3,9-7-5-2)21-12-20-13-14(17)18-11-19-15(13)21/h11-12H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyBFJVFWFKORWDFR-UHFFFAOYSA-N
XLogP3.89
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.89
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

9-(2-methyloctan-2-yl)purin-6-amine
CID 139502603
9-nonylpurin-6-amine
CID 3816519
9-(1-aminopentyl)purin-6-amine
CID 174938588
9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine
CID 14935376
2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol
CID 10889815
9-[2-(pentylamino)ethyl]purin-6-amine
CID 154003218
9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
CID 67145030
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
CID 173101965
1-[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxyhenicosane-3,3-dithiol
CID 175557877
4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol
CID 91425772
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-pentyl-4-sulfanyloxolan-3-ol
CID 167435817

Frequently Asked Questions

What is the IUPAC name of 9-(5-methyldecan-5-yl)purin-6-amine?
The IUPAC name of 9-(5-methyldecan-5-yl)purin-6-amine (CID 170323349) is 9-(5-methyldecan-5-yl)purin-6-amine.
What is the SMILES notation for 9-(5-methyldecan-5-yl)purin-6-amine?
The canonical SMILES for 9-(5-methyldecan-5-yl)purin-6-amine is CCCCCC(C)(CCCC)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-(5-methyldecan-5-yl)purin-6-amine?
The InChIKey is BFJVFWFKORWDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-6-8-10-16(3,9-7-5-2)21-12-20-13-14(17)18-11-19-15(13)21/h11-12H,4-10H2,1-3H3,(H2,17,18,19).
What are the key properties of 9-(5-methyldecan-5-yl)purin-6-amine?
9-(5-methyldecan-5-yl)purin-6-amine has a molecular weight of 289.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methyldecan-5-yl)purin-6-amine is sourced from PubChem (CID 170323349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).