2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C29H54ClN7 — CID 11114220

IUPAC2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H54ClN7/c1-11-13-15-36(21-17-26(3,4)34-27(5,6)18-21)24-31-23(30)32-25(33-24)37(16-14-12-2)22-19-28(7,8)35-29(9,10)20-22/h21-22,34-35H,11-20H2,1-10H3
InChIKeyYULZYCFPHFYDNP-UHFFFAOYSA-N
MW536.25 g/mol
LogP6.36
Rot. Bonds10

About 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 11114220) has the molecular formula C29H54ClN7 and a molecular weight of 536.25 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID11114220
Molecular FormulaC29H54ClN7
Molecular Weight536.25 g/mol
Exact Mass535.41
IUPAC Name2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C29H54ClN7/c1-11-13-15-36(21-17-26(3,4)34-27(5,6)18-21)24-31-23(30)32-25(33-24)37(16-14-12-2)22-19-28(7,8)35-29(9,10)20-22/h21-22,34-35H,11-20H2,1-10H3
InChIKeyYULZYCFPHFYDNP-UHFFFAOYSA-N
XLogP6.36
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.25
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 11114220) is 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YULZYCFPHFYDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54ClN7/c1-11-13-15-36(21-17-26(3,4)34-27(5,6)18-21)24-31-23(30)32-25(33-24)37(16-14-12-2)22-19-28(7,8)35-29(9,10)20-22/h21-22,34-35H,11-20H2,1-10H3.
What are the key properties of 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 536.25 g/mol, XLogP of 6.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11114220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).