9-(2-methyloctan-2-yl)purin-6-amine

C14H23N5 — CID 139502603

IUPAC9-(2-methyloctan-2-yl)purin-6-amine
SMILESCCCCCCC(C)(C)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5/c1-4-5-6-7-8-14(2,3)19-10-18-11-12(15)16-9-17-13(11)19/h9-10H,4-8H2,1-3H3,(H2,15,16,17)
InChIKeyFJKWLZUUCLPZAD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds6

About 9-(2-methyloctan-2-yl)purin-6-amine

9-(2-methyloctan-2-yl)purin-6-amine (PubChem CID 139502603) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 9-(2-methyloctan-2-yl)purin-6-amine.

Molecular Properties

Compound Name9-(2-methyloctan-2-yl)purin-6-amine
PubChem CID139502603
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name9-(2-methyloctan-2-yl)purin-6-amine
SMILESCCCCCCC(C)(C)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5/c1-4-5-6-7-8-14(2,3)19-10-18-11-12(15)16-9-17-13(11)19/h9-10H,4-8H2,1-3H3,(H2,15,16,17)
InChIKeyFJKWLZUUCLPZAD-UHFFFAOYSA-N
XLogP3.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
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-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
9-nonylpurin-6-amine
CID 3816519
9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine
CID 14935376
9-(1-aminopentyl)purin-6-amine
CID 174938588
2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol
CID 10889815
1-[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxyhenicosane-3,3-dithiol
CID 175557877
9-[2-(pentylamino)ethyl]purin-6-amine
CID 154003218
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
CID 173101965
9-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyoctan-3-yl]purin-6-amine
CID 67145030
3-(6-aminopurin-9-yl)-1-hexadecoxypropan-1-ol
CID 70306158
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866

Frequently Asked Questions

What is the IUPAC name of 9-(2-methyloctan-2-yl)purin-6-amine?
The IUPAC name of 9-(2-methyloctan-2-yl)purin-6-amine (CID 139502603) is 9-(2-methyloctan-2-yl)purin-6-amine.
What is the SMILES notation for 9-(2-methyloctan-2-yl)purin-6-amine?
The canonical SMILES for 9-(2-methyloctan-2-yl)purin-6-amine is CCCCCCC(C)(C)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-(2-methyloctan-2-yl)purin-6-amine?
The InChIKey is FJKWLZUUCLPZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-5-6-7-8-14(2,3)19-10-18-11-12(15)16-9-17-13(11)19/h9-10H,4-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 9-(2-methyloctan-2-yl)purin-6-amine?
9-(2-methyloctan-2-yl)purin-6-amine has a molecular weight of 261.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyloctan-2-yl)purin-6-amine is sourced from PubChem (CID 139502603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).