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

C15H26N6 — CID 79481965

IUPAC9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine
SMILESCCC(C)CN(CC)CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C15H26N6/c1-4-12(3)9-20(5-2)7-6-8-21-11-19-13-14(16)17-10-18-15(13)21/h10-12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyFWZXJJPPZSMBHI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.17
Rot. Bonds8

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

9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine (PubChem CID 79481965) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine
PubChem CID79481965
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine
SMILESCCC(C)CN(CC)CCCn1cnc2c(N)ncnc21
InChIInChI=1S/C15H26N6/c1-4-12(3)9-20(5-2)7-6-8-21-11-19-13-14(16)17-10-18-15(13)21/h10-12H,4-9H2,1-3H3,(H2,16,17,18)
InChIKeyFWZXJJPPZSMBHI-UHFFFAOYSA-N
XLogP2.17
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine?
The IUPAC name of 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine (CID 79481965) is 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine.
What is the SMILES notation for 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine?
The canonical SMILES for 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine is CCC(C)CN(CC)CCCn1cnc2c(N)ncnc21.
What is the InChIKey of 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine?
The InChIKey is FWZXJJPPZSMBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-4-12(3)9-20(5-2)7-6-8-21-11-19-13-14(16)17-10-18-15(13)21/h10-12H,4-9H2,1-3H3,(H2,16,17,18).
What are the key properties of 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine?
9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine has a molecular weight of 290.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[ethyl(2-methylbutyl)amino]propyl]purin-6-amine is sourced from PubChem (CID 79481965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).