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

C19H35N7O3 — CID 23787627

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCC2)n1
InChIInChI=1S/C19H35N7O3/c20-7-10-27-12-13-28-11-8-21-17-24-18(22-14-16-6-3-9-29-16)26-19(25-17)23-15-4-1-2-5-15/h15-16H,1-14,20H2,(H3,21,22,23,24,25,26)
InChIKeyDTHVWNPHLDQAAT-UHFFFAOYSA-N
MW409.54 g/mol
LogP1.22
Rot. Bonds14

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

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23787627) has the molecular formula C19H35N7O3 and a molecular weight of 409.54 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23787627
Molecular FormulaC19H35N7O3
Molecular Weight409.54 g/mol
Exact Mass409.28
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
SMILESNCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCC2)n1
InChIInChI=1S/C19H35N7O3/c20-7-10-27-12-13-28-11-8-21-17-24-18(22-14-16-6-3-9-29-16)26-19(25-17)23-15-4-1-2-5-15/h15-16H,1-14,20H2,(H3,21,22,23,24,25,26)
InChIKeyDTHVWNPHLDQAAT-UHFFFAOYSA-N
XLogP1.22
TPSA128.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Related Compounds

6-chloro-4-N-(oxolan-2-ylmethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 76333202
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
CID 23816476
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclooctyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 24176174
2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 69806232
6-chloro-4-N-ethyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 79020332
2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 91225017
(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758281
(2R)-2-[[4-[[(2S)-1-hydroxybutan-2-yl]amino]-6-(oxolan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758282
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
CID 23758455
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
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23758493
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

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 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) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is NCCOCCOCCNc1nc(NCC2CCCO2)nc(NC2CCCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DTHVWNPHLDQAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N7O3/c20-7-10-27-12-13-28-11-8-21-17-24-18(22-14-16-6-3-9-29-16)26-19(25-17)23-15-4-1-2-5-15/h15-16H,1-14,20H2,(H3,21,22,23,24,25,26).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 409.54 g/mol, XLogP of 1.22, 14 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-cyclopentyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23787627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).