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

C17H32N6O3 — CID 23758538

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCCOCCOCCN)nc(N(C)C2CCCCC2)n1
InChIInChI=1S/C17H32N6O3/c1-23(14-6-4-3-5-7-14)16-20-15(21-17(22-16)24-2)19-9-11-26-13-12-25-10-8-18/h14H,3-13,18H2,1-2H3,(H,19,20,21,22)
InChIKeyFUULYHHDGPGBSA-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.05
Rot. Bonds12

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 23758538) has the molecular formula C17H32N6O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID23758538
Molecular FormulaC17H32N6O3
Molecular Weight368.48 g/mol
Exact Mass368.25
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCCOCCOCCN)nc(N(C)C2CCCCC2)n1
InChIInChI=1S/C17H32N6O3/c1-23(14-6-4-3-5-7-14)16-20-15(21-17(22-16)24-2)19-9-11-26-13-12-25-10-8-18/h14H,3-13,18H2,1-2H3,(H,19,20,21,22)
InChIKeyFUULYHHDGPGBSA-UHFFFAOYSA-N
XLogP1.05
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-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

Related Compounds

N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
N-cyclohexyl-4,6-diethoxy-1,3,5-triazin-2-amine
CID 838403
N-(tert-butyl)-N'-cyclohexyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 754499
N-hexyl-4-methoxy-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 3117175
N~2~-hexyl-6-(4-morpholinyl)-N~4~-propyl-1,3,5-triazine-2,4-diamine
CID 5030687
2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 11100275
N,N'-dicyclohexyl-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 5302411
2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 23295151
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
CID 23816476
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 23872952
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23872956
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 23901115

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 23758538) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is COc1nc(NCCOCCOCCN)nc(N(C)C2CCCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FUULYHHDGPGBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O3/c1-23(14-6-4-3-5-7-14)16-20-15(21-17(22-16)24-2)19-9-11-26-13-12-25-10-8-18/h14H,3-13,18H2,1-2H3,(H,19,20,21,22).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 368.48 g/mol, XLogP of 1.05, 12 rotatable bonds, 2 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]-2-N-cyclohexyl-6-methoxy-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23758538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).