9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine

C14H24N6O — CID 63718095

IUPAC9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine
SMILESCCOCCN(CC)CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C14H24N6O/c1-3-19(8-9-21-4-2)6-5-7-20-11-18-12-13(15)16-10-17-14(12)20/h10-11H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyHYBTUZAVBQEPKL-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.16
Rot. Bonds9

About 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine

9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine (PubChem CID 63718095) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine
PubChem CID63718095
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine
SMILESCCOCCN(CC)CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C14H24N6O/c1-3-19(8-9-21-4-2)6-5-7-20-11-18-12-13(15)16-10-17-14(12)20/h10-11H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyHYBTUZAVBQEPKL-UHFFFAOYSA-N
XLogP1.16
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine
CID 79481965
9-[2-[2-(dimethylamino)ethoxy]ethyl]purin-6-amine
CID 15334366
9-nonylpurin-6-amine
CID 3816519
octyl 8-[3-(6-aminopurin-9-yl)propyl-nonylamino]octanoate
CID 142349884
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
9-[2-(4-ethoxyphenoxy)ethyl]purin-6-amine;hydrochloride
CID 126459868
9-[3-(2,2,2-trifluoroethoxy)propyl]purin-6-amine
CID 55215661
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
9-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]purin-6-amine
CID 66425509
9-[3-[cyclopropylmethyl(propan-2-yl)amino]propyl]purin-6-amine
CID 62897064

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine?
The IUPAC name of 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine (CID 63718095) is 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine.
What is the SMILES notation for 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine?
The canonical SMILES for 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine is CCOCCN(CC)CCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine?
The InChIKey is HYBTUZAVBQEPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-3-19(8-9-21-4-2)6-5-7-20-11-18-12-13(15)16-10-17-14(12)20/h10-11H,3-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine?
9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine has a molecular weight of 292.39 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-ethoxyethyl(ethyl)amino]propyl]purin-6-amine is sourced from PubChem (CID 63718095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).