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

C41H70ClN7O2 — CID 87324802

IUPAC6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CC=CCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CC=CCC1
InChIInChI=1S/C41H70ClN7O2/c1-38(2)27-31(28-39(3,4)48(38)50-33-21-11-9-12-22-33)19-15-17-25-43-36-45-35(42)46-37(47-36)44-26-18-16-20-32-29-40(5,6)49(41(7,8)30-32)51-34-23-13-10-14-24-34/h9-11,13,31-34H,12,14-30H2,1-8H3,(H2,43,44,45,46,47)
InChIKeyRYAOEHGFQNMGSE-UHFFFAOYSA-N
MW728.51 g/mol
LogP10.31
Rot. Bonds16

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

6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 87324802) has the molecular formula C41H70ClN7O2 and a molecular weight of 728.51 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-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-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID87324802
Molecular FormulaC41H70ClN7O2
Molecular Weight728.51 g/mol
Exact Mass727.53
IUPAC Name6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC4CC=CCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CC=CCC1
InChIInChI=1S/C41H70ClN7O2/c1-38(2)27-31(28-39(3,4)48(38)50-33-21-11-9-12-22-33)19-15-17-25-43-36-45-35(42)46-37(47-36)44-26-18-16-20-32-29-40(5,6)49(41(7,8)30-32)51-34-23-13-10-14-24-34/h9-11,13,31-34H,12,14-30H2,1-8H3,(H2,43,44,45,46,47)
InChIKeyRYAOEHGFQNMGSE-UHFFFAOYSA-N
XLogP10.31
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.51
LogP ≤ 510.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-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-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 87324802) is 6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-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-(1-cyclohex-3-en-1-yloxy-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-(1-cyclohex-3-en-1-yloxy-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)N(OC4CC=CCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CC=CCC1.
What is the InChIKey of 6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RYAOEHGFQNMGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H70ClN7O2/c1-38(2)27-31(28-39(3,4)48(38)50-33-21-11-9-12-22-33)19-15-17-25-43-36-45-35(42)46-37(47-36)44-26-18-16-20-32-29-40(5,6)49(41(7,8)30-32)51-34-23-13-10-14-24-34/h9-11,13,31-34H,12,14-30H2,1-8H3,(H2,43,44,45,46,47).
What are the key properties of 6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 728.51 g/mol, XLogP of 10.31, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 87324802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).