9-nonylpurin-6-amine

C14H23N5 — CID 3816519

IUPAC9-nonylpurin-6-amine
SMILESCCCCCCCCCn1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5/c1-2-3-4-5-6-7-8-9-19-11-18-12-13(15)16-10-17-14(12)19/h10-11H,2-9H2,1H3,(H2,15,16,17)
InChIKeyOBNIDJCXGRTJNC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.16
Rot. Bonds8

About 9-nonylpurin-6-amine

9-nonylpurin-6-amine (PubChem CID 3816519) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 9-nonylpurin-6-amine.

Molecular Properties

Compound Name9-nonylpurin-6-amine
PubChem CID3816519
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name9-nonylpurin-6-amine
SMILESCCCCCCCCCn1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5/c1-2-3-4-5-6-7-8-9-19-11-18-12-13(15)16-10-17-14(12)19/h10-11H,2-9H2,1H3,(H2,15,16,17)
InChIKeyOBNIDJCXGRTJNC-UHFFFAOYSA-N
XLogP3.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.16
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-(10-bromodecyl)purin-6-amine
CID 10831944
9-[2-(pentylamino)ethyl]purin-6-amine
CID 154003218
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
5-aminopentan-1-ol;2-(6-aminopurin-9-yl)ethanol;9-(2-chloroethyl)purin-6-amine;9-nonylpurin-6-amine
CID 160952697
3-(6-aminopurin-9-yl)-1-hexadecoxypropan-1-ol
CID 70306158
octyl 8-[3-(6-aminopurin-9-yl)propyl-nonylamino]octanoate
CID 142349884
9-tetradecyl-6-(1,2,4-triazol-1-yl)purine
CID 118709416
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
9-pent-4-ynylpurin-6-amine
CID 91098853
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415

Frequently Asked Questions

What is the IUPAC name of 9-nonylpurin-6-amine?
The IUPAC name of 9-nonylpurin-6-amine (CID 3816519) is 9-nonylpurin-6-amine.
What is the SMILES notation for 9-nonylpurin-6-amine?
The canonical SMILES for 9-nonylpurin-6-amine is CCCCCCCCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-nonylpurin-6-amine?
The InChIKey is OBNIDJCXGRTJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-3-4-5-6-7-8-9-19-11-18-12-13(15)16-10-17-14(12)19/h10-11H,2-9H2,1H3,(H2,15,16,17).
What are the key properties of 9-nonylpurin-6-amine?
9-nonylpurin-6-amine has a molecular weight of 261.37 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nonylpurin-6-amine is sourced from PubChem (CID 3816519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).