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

C29H54ClN7 — CID 11699446

IUPACN-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
SMILESCCCCNC1CC(C)(C)N(c2nc(Cl)nc(N3C(C)(C)CC(NCCCC)CC3(C)C)n2)C(C)(C)C1
InChIInChI=1S/C29H54ClN7/c1-11-13-15-31-21-17-26(3,4)36(27(5,6)18-21)24-33-23(30)34-25(35-24)37-28(7,8)19-22(20-29(37,9)10)32-16-14-12-2/h21-22,31-32H,11-20H2,1-10H3
InChIKeyDARUEKWVLGHJJT-UHFFFAOYSA-N
MW536.25 g/mol
LogP6.36
Rot. Bonds10

About 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

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 (PubChem CID 11699446) has the molecular formula C29H54ClN7 and a molecular weight of 536.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID11699446
Molecular FormulaC29H54ClN7
Molecular Weight536.25 g/mol
Exact Mass535.41
IUPAC NameN-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
SMILESCCCCNC1CC(C)(C)N(c2nc(Cl)nc(N3C(C)(C)CC(NCCCC)CC3(C)C)n2)C(C)(C)C1
InChIInChI=1S/C29H54ClN7/c1-11-13-15-31-21-17-26(3,4)36(27(5,6)18-21)24-33-23(30)34-25(35-24)37-28(7,8)19-22(20-29(37,9)10)32-16-14-12-2/h21-22,31-32H,11-20H2,1-10H3
InChIKeyDARUEKWVLGHJJT-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

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCNC1CC(C)(C)N(c2nc(Cl)nc(N3C(C)(C)CC(NCCCC)CC3(C)C)n2)C(C)(C)C1.
What is the InChIKey of 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?
The InChIKey is DARUEKWVLGHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54ClN7/c1-11-13-15-31-21-17-26(3,4)36(27(5,6)18-21)24-33-23(30)34-25(35-24)37-28(7,8)19-22(20-29(37,9)10)32-16-14-12-2/h21-22,31-32H,11-20H2,1-10H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 11699446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).