4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine

C20H38N6O3 — CID 23758529

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCOc1nc(NCCOCCOCCN)nc(NCC2CCCCC2)n1
InChIInChI=1S/C20H38N6O3/c1-2-3-11-29-20-25-18(22-10-13-28-15-14-27-12-9-21)24-19(26-20)23-16-17-7-5-4-6-8-17/h17H,2-16,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyINCLETZEZCFFLB-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.45
Rot. Bonds16

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23758529) has the molecular formula C20H38N6O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID23758529
Molecular FormulaC20H38N6O3
Molecular Weight410.56 g/mol
Exact Mass410.30
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCOc1nc(NCCOCCOCCN)nc(NCC2CCCCC2)n1
InChIInChI=1S/C20H38N6O3/c1-2-3-11-29-20-25-18(22-10-13-28-15-14-27-12-9-21)24-19(26-20)23-16-17-7-5-4-6-8-17/h17H,2-16,21H2,1H3,(H2,22,23,24,25,26)
InChIKeyINCLETZEZCFFLB-UHFFFAOYSA-N
XLogP2.45
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.45
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 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine (CID 23758529) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine is CCCCOc1nc(NCCOCCOCCN)nc(NCC2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is INCLETZEZCFFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N6O3/c1-2-3-11-29-20-25-18(22-10-13-28-15-14-27-12-9-21)24-19(26-20)23-16-17-7-5-4-6-8-17/h17H,2-16,21H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 410.56 g/mol, XLogP of 2.45, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-(cyclohexylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).