6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C54H88N14 — CID 19755123

IUPAC6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(CC=C)c1nc(N(CC=C)CC=C)nc(N(CCCCCCN(c2nc(N(CC=C)CC=C)nc(N(CC=C)CC=C)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C54H88N14/c1-17-29-63(30-18-2)45-55-46(64(31-19-3)32-20-4)58-49(57-45)67(43-39-51(9,10)61-52(11,12)40-43)37-27-25-26-28-38-68(44-41-53(13,14)62-54(15,16)42-44)50-59-47(65(33-21-5)34-22-6)56-48(60-50)66(35-23-7)36-24-8/h17-24,43-44,61-62H,1-8,25-42H2,9-16H3
InChIKeyKECGXAKLTJTDHM-UHFFFAOYSA-N
MW933.40 g/mol
LogP9.26
Rot. Bonds31

About 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19755123) has the molecular formula C54H88N14 and a molecular weight of 933.40 g/mol. Its IUPAC name is 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19755123
Molecular FormulaC54H88N14
Molecular Weight933.40 g/mol
Exact Mass932.73
IUPAC Name6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(CC=C)c1nc(N(CC=C)CC=C)nc(N(CCCCCCN(c2nc(N(CC=C)CC=C)nc(N(CC=C)CC=C)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C54H88N14/c1-17-29-63(30-18-2)45-55-46(64(31-19-3)32-20-4)58-49(57-45)67(43-39-51(9,10)61-52(11,12)40-43)37-27-25-26-28-38-68(44-41-53(13,14)62-54(15,16)42-44)50-59-47(65(33-21-5)34-22-6)56-48(60-50)66(35-23-7)36-24-8/h17-24,43-44,61-62H,1-8,25-42H2,9-16H3
InChIKeyKECGXAKLTJTDHM-UHFFFAOYSA-N
XLogP9.26
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500933.40
LogP ≤ 59.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 19755123) is 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is C=CCN(CC=C)c1nc(N(CC=C)CC=C)nc(N(CCCCCCN(c2nc(N(CC=C)CC=C)nc(N(CC=C)CC=C)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KECGXAKLTJTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H88N14/c1-17-29-63(30-18-2)45-55-46(64(31-19-3)32-20-4)58-49(57-45)67(43-39-51(9,10)61-52(11,12)40-43)37-27-25-26-28-38-68(44-41-53(13,14)62-54(15,16)42-44)50-59-47(65(33-21-5)34-22-6)56-48(60-50)66(35-23-7)36-24-8/h17-24,43-44,61-62H,1-8,25-42H2,9-16H3.
What are the key properties of 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 933.40 g/mol, XLogP of 9.26, 31 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[6-[[4,6-bis[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-6-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19755123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).