2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane

C60H138N18O6 — CID 158757173

IUPAC2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane
SMILESCC(C)(C)N1CN(C(C)(C)C)CN(C(C)(C)C)C1.CC(C)(C)N1CN(CCNCCO)CN(C(C)(C)C)C1.CC(C)(C)N1CN(CCNCCO)CN(CCNCCO)C1.OCCNCCN1CN(CCNCCO)CN(CCNCCO)C1
InChIInChI=1S/C15H36N6O3.C15H35N5O2.C15H34N4O.C15H33N3/c22-10-4-16-1-7-19-13-20(8-2-17-5-11-23)15-21(14-19)9-3-18-6-12-24;1-15(2,3)20-13-18(8-4-16-6-10-21)12-19(14-20)9-5-17-7-11-22;1-14(2,3)18-11-17(9-7-16-8-10-20)12-19(13-18)15(4,5)6;1-13(2,3)16-10-17(14(4,5)6)12-18(11-16)15(7,8)9/h16-18,22-24H,1-15H2;16-17,21-22H,4-14H2,1-3H3;16,20H,7-13H2,1-6H3;10-12H2,1-9H3
InChIKeyIOFGDGCBWIZIIL-UHFFFAOYSA-N
MW1207.88 g/mol
LogP-0.60
Rot. Bonds30

About 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane

2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane (PubChem CID 158757173) has the molecular formula C60H138N18O6 and a molecular weight of 1207.88 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane
PubChem CID158757173
Molecular FormulaC60H138N18O6
Molecular Weight1207.88 g/mol
Exact Mass1207.10
IUPAC Name2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane
SMILESCC(C)(C)N1CN(C(C)(C)C)CN(C(C)(C)C)C1.CC(C)(C)N1CN(CCNCCO)CN(C(C)(C)C)C1.CC(C)(C)N1CN(CCNCCO)CN(CCNCCO)C1.OCCNCCN1CN(CCNCCO)CN(CCNCCO)C1
InChIInChI=1S/C15H36N6O3.C15H35N5O2.C15H34N4O.C15H33N3/c22-10-4-16-1-7-19-13-20(8-2-17-5-11-23)15-21(14-19)9-3-18-6-12-24;1-15(2,3)20-13-18(8-4-16-6-10-21)12-19(14-20)9-5-17-7-11-22;1-14(2,3)18-11-17(9-7-16-8-10-20)12-19(13-18)15(4,5)6;1-13(2,3)16-10-17(14(4,5)6)12-18(11-16)15(7,8)9/h16-18,22-24H,1-15H2;16-17,21-22H,4-14H2,1-3H3;16,20H,7-13H2,1-6H3;10-12H2,1-9H3
InChIKeyIOFGDGCBWIZIIL-UHFFFAOYSA-N
XLogP-0.60
TPSA232.44 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.88
LogP ≤ 5-0.60
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane 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-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane?
The IUPAC name of 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane (CID 158757173) is 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane.
What is the SMILES notation for 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane?
The canonical SMILES for 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane is CC(C)(C)N1CN(C(C)(C)C)CN(C(C)(C)C)C1.CC(C)(C)N1CN(CCNCCO)CN(C(C)(C)C)C1.CC(C)(C)N1CN(CCNCCO)CN(CCNCCO)C1.OCCNCCN1CN(CCNCCO)CN(CCNCCO)C1.
What is the InChIKey of 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane?
The InChIKey is IOFGDGCBWIZIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N6O3.C15H35N5O2.C15H34N4O.C15H33N3/c22-10-4-16-1-7-19-13-20(8-2-17-5-11-23)15-21(14-19)9-3-18-6-12-24;1-15(2,3)20-13-18(8-4-16-6-10-21)12-19(14-20)9-5-17-7-11-22;1-14(2,3)18-11-17(9-7-16-8-10-20)12-19(13-18)15(4,5)6;1-13(2,3)16-10-17(14(4,5)6)12-18(11-16)15(7,8)9/h16-18,22-24H,1-15H2;16-17,21-22H,4-14H2,1-3H3;16,20H,7-13H2,1-6H3;10-12H2,1-9H3.
What are the key properties of 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane?
2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane has a molecular weight of 1207.88 g/mol, XLogP of -0.60, 30 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-[3-tert-butyl-5-[2-(2-hydroxyethylamino)ethyl]-1,3,5-triazinan-1-yl]ethylamino]ethanol;2-[2-(3,5-ditert-butyl-1,3,5-triazinan-1-yl)ethylamino]ethanol;1,3,5-tritert-butyl-1,3,5-triazinane is sourced from PubChem (CID 158757173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).