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

C35H64N8 — CID 70468179

IUPAC4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(CC=C)c1nc(NC(C)(C)CC(C)(C)C)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C35H64N8/c1-16-18-42(19-17-2)28-36-27(39-35(14,15)24-30(3,4)5)37-29(38-28)43(25-20-31(6,7)40-32(8,9)21-25)26-22-33(10,11)41-34(12,13)23-26/h16-17,25-26,40-41H,1-2,18-24H2,3-15H3,(H,36,37,38,39)
InChIKeyAHAQPLCHOZSNNS-UHFFFAOYSA-N
MW596.95 g/mol
LogP7.10
Rot. Bonds11

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

4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 70468179) has the molecular formula C35H64N8 and a molecular weight of 596.95 g/mol. Its IUPAC name is 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID70468179
Molecular FormulaC35H64N8
Molecular Weight596.95 g/mol
Exact Mass596.53
IUPAC Name4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCN(CC=C)c1nc(NC(C)(C)CC(C)(C)C)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C35H64N8/c1-16-18-42(19-17-2)28-36-27(39-35(14,15)24-30(3,4)5)37-29(38-28)43(25-20-31(6,7)40-32(8,9)21-25)26-22-33(10,11)41-34(12,13)23-26/h16-17,25-26,40-41H,1-2,18-24H2,3-15H3,(H,36,37,38,39)
InChIKeyAHAQPLCHOZSNNS-UHFFFAOYSA-N
XLogP7.10
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.95
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 70468179) is 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine is C=CCN(CC=C)c1nc(NC(C)(C)CC(C)(C)C)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AHAQPLCHOZSNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64N8/c1-16-18-42(19-17-2)28-36-27(39-35(14,15)24-30(3,4)5)37-29(38-28)43(25-20-31(6,7)40-32(8,9)21-25)26-22-33(10,11)41-34(12,13)23-26/h16-17,25-26,40-41H,1-2,18-24H2,3-15H3,(H,36,37,38,39).
What are the key properties of 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 596.95 g/mol, XLogP of 7.10, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70468179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).