9-[2-(pentylamino)ethyl]purin-6-amine

C12H20N6 — CID 154003218

IUPAC9-[2-(pentylamino)ethyl]purin-6-amine
SMILESCCCCCNCCn1cnc2c(N)ncnc21
InChIInChI=1S/C12H20N6/c1-2-3-4-5-14-6-7-18-9-17-10-11(13)15-8-16-12(10)18/h8-9,14H,2-7H2,1H3,(H2,13,15,16)
InChIKeyNPRRKJOHSDEPAH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.19
Rot. Bonds7

About 9-[2-(pentylamino)ethyl]purin-6-amine

9-[2-(pentylamino)ethyl]purin-6-amine (PubChem CID 154003218) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 9-[2-(pentylamino)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(pentylamino)ethyl]purin-6-amine
PubChem CID154003218
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name9-[2-(pentylamino)ethyl]purin-6-amine
SMILESCCCCCNCCn1cnc2c(N)ncnc21
InChIInChI=1S/C12H20N6/c1-2-3-4-5-14-6-7-18-9-17-10-11(13)15-8-16-12(10)18/h8-9,14H,2-7H2,1H3,(H2,13,15,16)
InChIKeyNPRRKJOHSDEPAH-UHFFFAOYSA-N
XLogP1.19
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-[2-(pentylamino)ethyl]purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-nonylpurin-6-amine
CID 3816519
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
3-(6-aminopurin-9-yl)-1-hexadecoxypropan-1-ol
CID 70306158
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-(6-anilinohexyl)purin-6-amine
CID 67346454
9-(10-bromodecyl)purin-6-amine
CID 10831944
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
4-(6-aminopurin-9-yl)-N-methylbutanamide
CID 63891255
9-pent-4-ynylpurin-6-amine
CID 91098853
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

Frequently Asked Questions

What is the IUPAC name of 9-[2-(pentylamino)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(pentylamino)ethyl]purin-6-amine (CID 154003218) is 9-[2-(pentylamino)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(pentylamino)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(pentylamino)ethyl]purin-6-amine is CCCCCNCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[2-(pentylamino)ethyl]purin-6-amine?
The InChIKey is NPRRKJOHSDEPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-2-3-4-5-14-6-7-18-9-17-10-11(13)15-8-16-12(10)18/h8-9,14H,2-7H2,1H3,(H2,13,15,16).
What are the key properties of 9-[2-(pentylamino)ethyl]purin-6-amine?
9-[2-(pentylamino)ethyl]purin-6-amine has a molecular weight of 248.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(pentylamino)ethyl]purin-6-amine is sourced from PubChem (CID 154003218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).