2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C20H40N6O3 — CID 23901115

IUPAC2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1
InChIInChI=1S/C20H40N6O3/c1-4-5-6-7-8-9-11-22-18-24-19(26-20(25-18)29-17(2)3)23-12-14-28-16-15-27-13-10-21/h17H,4-16,21H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyXTMKJBZWFQQRPY-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.84
Rot. Bonds19

About 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 23901115) has the molecular formula C20H40N6O3 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID23901115
Molecular FormulaC20H40N6O3
Molecular Weight412.58 g/mol
Exact Mass412.32
IUPAC Name2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1
InChIInChI=1S/C20H40N6O3/c1-4-5-6-7-8-9-11-22-18-24-19(26-20(25-18)29-17(2)3)23-12-14-28-16-15-27-13-10-21/h17H,4-16,21H2,1-3H3,(H2,22,23,24,25,26)
InChIKeyXTMKJBZWFQQRPY-UHFFFAOYSA-N
XLogP2.84
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 23901115) is 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCCCCCCCNc1nc(NCCOCCOCCN)nc(OC(C)C)n1.
What is the InChIKey of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is XTMKJBZWFQQRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6O3/c1-4-5-6-7-8-9-11-22-18-24-19(26-20(25-18)29-17(2)3)23-12-14-28-16-15-27-13-10-21/h17H,4-16,21H2,1-3H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 412.58 g/mol, XLogP of 2.84, 19 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23901115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).