6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

C17H31N7O3 — CID 23758491

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(NCC2CCCO2)n1
InChIInChI=1S/C17H31N7O3/c1-2-6-19-15-22-16(20-7-10-26-12-11-25-9-5-18)24-17(23-15)21-13-14-4-3-8-27-14/h2,14H,1,3-13,18H2,(H3,19,20,21,22,23,24)
InChIKeyNEXYOBGXPLQXOI-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.46
Rot. Bonds15

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23758491) has the molecular formula C17H31N7O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23758491
Molecular FormulaC17H31N7O3
Molecular Weight381.48 g/mol
Exact Mass381.25
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(NCC2CCCO2)n1
InChIInChI=1S/C17H31N7O3/c1-2-6-19-15-22-16(20-7-10-26-12-11-25-9-5-18)24-17(23-15)21-13-14-4-3-8-27-14/h2,14H,1,3-13,18H2,(H3,19,20,21,22,23,24)
InChIKeyNEXYOBGXPLQXOI-UHFFFAOYSA-N
XLogP0.46
TPSA128.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine 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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-octyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23758497
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23787627
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-(3-methylbutyl)-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23816506
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-butan-2-yl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23901081
(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23956699
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23956875
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23984655
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-chloro-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 23984708
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 24012567
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 24040217
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 24040249
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 24095060

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 23758491) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(NCCOCCOCCN)nc(NCC2CCCO2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NEXYOBGXPLQXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O3/c1-2-6-19-15-22-16(20-7-10-26-12-11-25-9-5-18)24-17(23-15)21-13-14-4-3-8-27-14/h2,14H,1,3-13,18H2,(H3,19,20,21,22,23,24).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 381.48 g/mol, XLogP of 0.46, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23758491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).