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

C19H37N7O2 — CID 23873075

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NCC2CCCCC2)n1
InChIInChI=1S/C19H37N7O2/c1-15(2)23-19-25-17(21-9-11-28-13-12-27-10-8-20)24-18(26-19)22-14-16-6-4-3-5-7-16/h15-16H,3-14,20H2,1-2H3,(H3,21,22,23,24,25,26)
InChIKeyKXSGHPOSIUDJLI-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.09
Rot. Bonds14

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

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23873075) has the molecular formula C19H37N7O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID23873075
Molecular FormulaC19H37N7O2
Molecular Weight395.55 g/mol
Exact Mass395.30
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NCC2CCCCC2)n1
InChIInChI=1S/C19H37N7O2/c1-15(2)23-19-25-17(21-9-11-28-13-12-27-10-8-20)24-18(26-19)22-14-16-6-4-3-5-7-16/h15-16H,3-14,20H2,1-2H3,(H3,21,22,23,24,25,26)
InChIKeyKXSGHPOSIUDJLI-UHFFFAOYSA-N
XLogP2.09
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.09
H-Bond Donors ≤ 54
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]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 23873075) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(NCCOCCOCCN)nc(NCC2CCCCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KXSGHPOSIUDJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N7O2/c1-15(2)23-19-25-17(21-9-11-28-13-12-27-10-8-20)24-18(26-19)22-14-16-6-4-3-5-7-16/h15-16H,3-14,20H2,1-2H3,(H3,21,22,23,24,25,26).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 395.55 g/mol, XLogP of 2.09, 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]-4-N-(cyclohexylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23873075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).