6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C19H35N7O2 — CID 23758301

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(c1nc(NCCOCCOCCN)nc(NC2CC2)n1)C1CCCCC1
InChIInChI=1S/C19H35N7O2/c1-26(16-5-3-2-4-6-16)19-24-17(23-18(25-19)22-15-7-8-15)21-10-12-28-14-13-27-11-9-20/h15-16H,2-14,20H2,1H3,(H2,21,22,23,24,25)
InChIKeyMEPCURSTOYVERV-UHFFFAOYSA-N
MW393.54 g/mol
LogP1.62
Rot. Bonds13

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23758301) has the molecular formula C19H35N7O2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23758301
Molecular FormulaC19H35N7O2
Molecular Weight393.54 g/mol
Exact Mass393.29
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(c1nc(NCCOCCOCCN)nc(NC2CC2)n1)C1CCCCC1
InChIInChI=1S/C19H35N7O2/c1-26(16-5-3-2-4-6-16)19-24-17(23-18(25-19)22-15-7-8-15)21-10-12-28-14-13-27-11-9-20/h15-16H,2-14,20H2,1H3,(H2,21,22,23,24,25)
InChIKeyMEPCURSTOYVERV-UHFFFAOYSA-N
XLogP1.62
TPSA110.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 23758301) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine is CN(c1nc(NCCOCCOCCN)nc(NC2CC2)n1)C1CCCCC1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MEPCURSTOYVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N7O2/c1-26(16-5-3-2-4-6-16)19-24-17(23-18(25-19)22-15-7-8-15)21-10-12-28-14-13-27-11-9-20/h15-16H,2-14,20H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 393.54 g/mol, XLogP of 1.62, 13 rotatable bonds, 3 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-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23758301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).