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

C29H54ClN7 — CID 19073316

IUPAC6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C29H54ClN7/c1-26(2)17-21(18-27(3,4)36-26)13-9-11-15-31-24-33-23(30)34-25(35-24)32-16-12-10-14-22-19-28(5,6)37-29(7,8)20-22/h21-22,36-37H,9-20H2,1-8H3,(H2,31,32,33,34,35)
InChIKeyFELKOVXAOCABKT-UHFFFAOYSA-N
MW536.25 g/mol
LogP6.80
Rot. Bonds12

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

6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19073316) has the molecular formula C29H54ClN7 and a molecular weight of 536.25 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID19073316
Molecular FormulaC29H54ClN7
Molecular Weight536.25 g/mol
Exact Mass535.41
IUPAC Name6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C29H54ClN7/c1-26(2)17-21(18-27(3,4)36-26)13-9-11-15-31-24-33-23(30)34-25(35-24)32-16-12-10-14-22-19-28(5,6)37-29(7,8)20-22/h21-22,36-37H,9-20H2,1-8H3,(H2,31,32,33,34,35)
InChIKeyFELKOVXAOCABKT-UHFFFAOYSA-N
XLogP6.80
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.25
LogP ≤ 56.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19073316) is 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CC1(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.
What is the InChIKey of 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FELKOVXAOCABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54ClN7/c1-26(2)17-21(18-27(3,4)36-26)13-9-11-15-31-24-33-23(30)34-25(35-24)32-16-12-10-14-22-19-28(5,6)37-29(7,8)20-22/h21-22,36-37H,9-20H2,1-8H3,(H2,31,32,33,34,35).
What are the key properties of 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 536.25 g/mol, XLogP of 6.80, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19073316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).