2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine

C15H26N6 — CID 114785797

IUPAC2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
SMILESCCCCCCCCNc1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C15H26N6/c1-3-5-6-7-8-9-10-17-13-12-14(19-11-18-12)21-15(20-13)16-4-2/h11H,3-10H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyDTGMPXFOJXVTGA-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.56
Rot. Bonds10

About 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine

2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine (PubChem CID 114785797) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
PubChem CID114785797
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
SMILESCCCCCCCCNc1nc(NCC)nc2nc[nH]c12
InChIInChI=1S/C15H26N6/c1-3-5-6-7-8-9-10-17-13-12-14(19-11-18-12)21-15(20-13)16-4-2/h11H,3-10H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyDTGMPXFOJXVTGA-UHFFFAOYSA-N
XLogP3.56
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785147
6-N,6-N-dibutyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783314
2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine
CID 114786320
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine (CID 114785797) is 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine is CCCCCCCCNc1nc(NCC)nc2nc[nH]c12.
What is the InChIKey of 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine?
The InChIKey is DTGMPXFOJXVTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-3-5-6-7-8-9-10-17-13-12-14(19-11-18-12)21-15(20-13)16-4-2/h11H,3-10H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine?
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.56, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114785797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).