1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione

C30H60N6O6 — CID 139394123

IUPAC1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCN(CC)CCCN(CC(O)Cn1c(=O)n(CC(O)CN(CC)CC)c(=O)n(CC(O)C(C)(C)C)c1=O)C(C)(C)C
InChIInChI=1S/C30H60N6O6/c1-11-31(12-2)16-15-17-33(30(8,9)10)19-24(38)21-35-26(40)34(20-23(37)18-32(13-3)14-4)27(41)36(28(35)42)22-25(39)29(5,6)7/h23-25,37-39H,11-22H2,1-10H3
InChIKeyORZYHMUYRUOBEK-UHFFFAOYSA-N
MW600.85 g/mol
LogP0.47
Rot. Bonds18

About 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione

1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 139394123) has the molecular formula C30H60N6O6 and a molecular weight of 600.85 g/mol. Its IUPAC name is 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID139394123
Molecular FormulaC30H60N6O6
Molecular Weight600.85 g/mol
Exact Mass600.46
IUPAC Name1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione
SMILESCCN(CC)CCCN(CC(O)Cn1c(=O)n(CC(O)CN(CC)CC)c(=O)n(CC(O)C(C)(C)C)c1=O)C(C)(C)C
InChIInChI=1S/C30H60N6O6/c1-11-31(12-2)16-15-17-33(30(8,9)10)19-24(38)21-35-26(40)34(20-23(37)18-32(13-3)14-4)27(41)36(28(35)42)22-25(39)29(5,6)7/h23-25,37-39H,11-22H2,1-10H3
InChIKeyORZYHMUYRUOBEK-UHFFFAOYSA-N
XLogP0.47
TPSA136.41 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.85
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione (CID 139394123) is 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione is CCN(CC)CCCN(CC(O)Cn1c(=O)n(CC(O)CN(CC)CC)c(=O)n(CC(O)C(C)(C)C)c1=O)C(C)(C)C.
What is the InChIKey of 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ORZYHMUYRUOBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N6O6/c1-11-31(12-2)16-15-17-33(30(8,9)10)19-24(38)21-35-26(40)34(20-23(37)18-32(13-3)14-4)27(41)36(28(35)42)22-25(39)29(5,6)7/h23-25,37-39H,11-22H2,1-10H3.
What are the key properties of 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione?
1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 600.85 g/mol, XLogP of 0.47, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl-[3-(diethylamino)propyl]amino]-2-hydroxypropyl]-3-[3-(diethylamino)-2-hydroxypropyl]-5-(2-hydroxy-3,3-dimethylbutyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139394123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).