6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

C15H29N7O2 — CID 23816463

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(NC(C)C)n1
InChIInChI=1S/C15H29N7O2/c1-4-6-17-13-20-14(22-15(21-13)19-12(2)3)18-7-9-24-11-10-23-8-5-16/h4,12H,1,5-11,16H2,2-3H3,(H3,17,18,19,20,21,22)
InChIKeyCDMRXEFJAMILRV-UHFFFAOYSA-N
MW339.44 g/mol
LogP0.69
Rot. Bonds14

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23816463) has the molecular formula C15H29N7O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23816463
Molecular FormulaC15H29N7O2
Molecular Weight339.44 g/mol
Exact Mass339.24
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(NC(C)C)n1
InChIInChI=1S/C15H29N7O2/c1-4-6-17-13-20-14(22-15(21-13)19-12(2)3)18-7-9-24-11-10-23-8-5-16/h4,12H,1,5-11,16H2,2-3H3,(H3,17,18,19,20,21,22)
InChIKeyCDMRXEFJAMILRV-UHFFFAOYSA-N
XLogP0.69
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 23816463) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(NCCOCCOCCN)nc(NC(C)C)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CDMRXEFJAMILRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N7O2/c1-4-6-17-13-20-14(22-15(21-13)19-12(2)3)18-7-9-24-11-10-23-8-5-16/h4,12H,1,5-11,16H2,2-3H3,(H3,17,18,19,20,21,22).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 339.44 g/mol, XLogP of 0.69, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23816463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).