2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine

C11H22N8O2 — CID 175436087

IUPAC2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine
SMILESNCCOCCOCCN.Nc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C6H16N2O2.C5H6N6/c7-1-3-9-5-6-10-4-2-8;6-3-2-4(9-1-8-2)11-5(7)10-3/h1-8H2;1H,(H5,6,7,8,9,10,11)
InChIKeyPKSLAKVFWUCFBZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP-1.55
Rot. Bonds7

About 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine

2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine (PubChem CID 175436087) has the molecular formula C11H22N8O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine
PubChem CID175436087
Molecular FormulaC11H22N8O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine
SMILESNCCOCCOCCN.Nc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C6H16N2O2.C5H6N6/c7-1-3-9-5-6-10-4-2-8;6-3-2-4(9-1-8-2)11-5(7)10-3/h1-8H2;1H,(H5,6,7,8,9,10,11)
InChIKeyPKSLAKVFWUCFBZ-UHFFFAOYSA-N
XLogP-1.55
TPSA177.00 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-1-[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]hexan-3-one
CID 149184578
2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
CID 20566205
7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione
CID 174663660
2-ethyl-7H-purin-6-amine
CID 19795383
(2-amino-7H-purin-6-yl)methanol
CID 11593490
6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
5-[(2-amino-7H-purin-6-yl)oxy]pentan-1-ol
CID 114216836
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
6-N-(2-ethoxyethyl)-6-N-methyl-7H-purine-2,6-diamine
CID 104623920
3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine
CID 159740059
6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
3-amino-N-(6-amino-7H-purin-2-yl)propanamide
CID 140616343

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine (CID 175436087) is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine is NCCOCCOCCN.Nc1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine?
The InChIKey is PKSLAKVFWUCFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2.C5H6N6/c7-1-3-9-5-6-10-4-2-8;6-3-2-4(9-1-8-2)11-5(7)10-3/h1-8H2;1H,(H5,6,7,8,9,10,11).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine?
2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine has a molecular weight of 298.35 g/mol, XLogP of -1.55, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine is sourced from PubChem (CID 175436087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).