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

C13H22N6 — CID 2039181

IUPAC9-[2-(hexylamino)ethyl]purin-6-amine
SMILESCCCCCCNCCn1cnc2c(N)ncnc21
InChIInChI=1S/C13H22N6/c1-2-3-4-5-6-15-7-8-19-10-18-11-12(14)16-9-17-13(11)19/h9-10,15H,2-8H2,1H3,(H2,14,16,17)
InChIKeyDZZFRYGFJUTNHR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.58
Rot. Bonds8

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

9-[2-(hexylamino)ethyl]purin-6-amine (PubChem CID 2039181) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 9-[2-(hexylamino)ethyl]purin-6-amine.

Molecular Properties

Compound Name9-[2-(hexylamino)ethyl]purin-6-amine
PubChem CID2039181
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name9-[2-(hexylamino)ethyl]purin-6-amine
SMILESCCCCCCNCCn1cnc2c(N)ncnc21
InChIInChI=1S/C13H22N6/c1-2-3-4-5-6-15-7-8-19-10-18-11-12(14)16-9-17-13(11)19/h9-10,15H,2-8H2,1H3,(H2,14,16,17)
InChIKeyDZZFRYGFJUTNHR-UHFFFAOYSA-N
XLogP1.58
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Isopentenyladenine
CID 92180
Nb-001
CID 2815031
6-Dimethylaminopurine
CID 3134
N6-Methyladenine
CID 67955
7-Methyladenine
CID 71593
9-Methyladenine
CID 69689
9-Ethyladenine
CID 7
8-Bromo-9-ethyladenine
CID 5248753
2-Methyladenine
CID 15048
9-Cyclopentyladenine
CID 12852
8-Bromo-9-methyladenine
CID 822296
9H-Purin-6-amine, N,9-dimethyl-
CID 94845

Frequently Asked Questions

What is the IUPAC name of 9-[2-(hexylamino)ethyl]purin-6-amine?
The IUPAC name of 9-[2-(hexylamino)ethyl]purin-6-amine (CID 2039181) is 9-[2-(hexylamino)ethyl]purin-6-amine.
What is the SMILES notation for 9-[2-(hexylamino)ethyl]purin-6-amine?
The canonical SMILES for 9-[2-(hexylamino)ethyl]purin-6-amine is CCCCCCNCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[2-(hexylamino)ethyl]purin-6-amine?
The InChIKey is DZZFRYGFJUTNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-2-3-4-5-6-15-7-8-19-10-18-11-12(14)16-9-17-13(11)19/h9-10,15H,2-8H2,1H3,(H2,14,16,17).
What are the key properties of 9-[2-(hexylamino)ethyl]purin-6-amine?
9-[2-(hexylamino)ethyl]purin-6-amine has a molecular weight of 262.36 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(hexylamino)ethyl]purin-6-amine is sourced from PubChem (CID 2039181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).