6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C35H64N8 — CID 20520695

IUPAC6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(CC=C)c1nc(NC(C)(C)CCCCC)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C35H64N8/c1-14-17-18-19-31(4,5)39-28-36-29(42(20-15-2)21-16-3)38-30(37-28)43(26-22-32(6,7)40-33(8,9)23-26)27-24-34(10,11)41-35(12,13)25-27/h15-16,26-27,40-41H,2-3,14,17-25H2,1,4-13H3,(H,36,37,38,39)
InChIKeyFUILIWQJQUEXBY-UHFFFAOYSA-N
MW596.95 g/mol
LogP7.25
Rot. Bonds14

About 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20520695) has the molecular formula C35H64N8 and a molecular weight of 596.95 g/mol. Its IUPAC name is 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID20520695
Molecular FormulaC35H64N8
Molecular Weight596.95 g/mol
Exact Mass596.53
IUPAC Name6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(CC=C)c1nc(NC(C)(C)CCCCC)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C35H64N8/c1-14-17-18-19-31(4,5)39-28-36-29(42(20-15-2)21-16-3)38-30(37-28)43(26-22-32(6,7)40-33(8,9)23-26)27-24-34(10,11)41-35(12,13)25-27/h15-16,26-27,40-41H,2-3,14,17-25H2,1,4-13H3,(H,36,37,38,39)
InChIKeyFUILIWQJQUEXBY-UHFFFAOYSA-N
XLogP7.25
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.95
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

TK 12997
CID 163462
2,9,11,13,14-Pentaazabicyclo[8.3.1]tetradeca-1(14),10,12-trien-12-amine, N-(1,1,3,3-tetramethylbutyl)-2,9-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 91982043
1,3,5-Triazine-2,4,6-triamine, N,N',N''-tributyl-N,N',N''-tris(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 156239
2-Chloro-4,6-bis-(2,2,6,6-tetramethyl-4-piperidyl-butylamino)-1,3,5-triazine
CID 11114220
N-butyl-1-[4-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]-6-chloro-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 11699446
2-[N,N-bis(2,2,6,6-tetramethyl-4-piperidyl)amino]-4,6-dichloro-1,3,5-triazine
CID 14365120
6-chloro-2-N,4-N-diethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 14746197
2-Chloro-4,6-bis[N-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino]-1,3,5-triazine
CID 14746198
2-N,4-N-dioctyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-undecyl-1,3,5-triazine-2,4,6-triamine
CID 17764877
2-N,4-N-dioctyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-undecyl-1,3,5-triazine-2,4,6-triamine
CID 17788416
2-N,4-N,6-N-tris[4-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 17882987
6-N,6-N-dimethyl-2-N,4-N-di(propan-2-yl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 17977620

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 20520695) is 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is C=CCN(CC=C)c1nc(NC(C)(C)CCCCC)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FUILIWQJQUEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64N8/c1-14-17-18-19-31(4,5)39-28-36-29(42(20-15-2)21-16-3)38-30(37-28)43(26-22-32(6,7)40-33(8,9)23-26)27-24-34(10,11)41-35(12,13)25-27/h15-16,26-27,40-41H,2-3,14,17-25H2,1,4-13H3,(H,36,37,38,39).
What are the key properties of 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 596.95 g/mol, XLogP of 7.25, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20520695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).