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

C57H106ClN7O2 — CID 19090195

IUPAC6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCC(Nc1nc(Cl)nc(NC(CCCCCCCCCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C57H106ClN7O2/c1-11-13-15-17-19-21-23-25-33-39-49(45-41-54(3,4)64(55(5,6)42-45)66-47-35-29-27-30-36-47)59-52-61-51(58)62-53(63-52)60-50(40-34-26-24-22-20-18-16-14-12-2)46-43-56(7,8)65(57(9,10)44-46)67-48-37-31-28-32-38-48/h45-50H,11-44H2,1-10H3,(H2,59,60,61,62,63)
InChIKeyFZTHPZPMGQQDCO-UHFFFAOYSA-N
MW956.97 g/mol
LogP16.99
Rot. Bonds30

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

6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19090195) has the molecular formula C57H106ClN7O2 and a molecular weight of 956.97 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine
PubChem CID19090195
Molecular FormulaC57H106ClN7O2
Molecular Weight956.97 g/mol
Exact Mass955.81
IUPAC Name6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCC(Nc1nc(Cl)nc(NC(CCCCCCCCCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C57H106ClN7O2/c1-11-13-15-17-19-21-23-25-33-39-49(45-41-54(3,4)64(55(5,6)42-45)66-47-35-29-27-30-36-47)59-52-61-51(58)62-53(63-52)60-50(40-34-26-24-22-20-18-16-14-12-2)46-43-56(7,8)65(57(9,10)44-46)67-48-37-31-28-32-38-48/h45-50H,11-44H2,1-10H3,(H2,59,60,61,62,63)
InChIKeyFZTHPZPMGQQDCO-UHFFFAOYSA-N
XLogP16.99
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.97
LogP ≤ 516.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine (CID 19090195) is 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCC(Nc1nc(Cl)nc(NC(CCCCCCCCCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FZTHPZPMGQQDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H106ClN7O2/c1-11-13-15-17-19-21-23-25-33-39-49(45-41-54(3,4)64(55(5,6)42-45)66-47-35-29-27-30-36-47)59-52-61-51(58)62-53(63-52)60-50(40-34-26-24-22-20-18-16-14-12-2)46-43-56(7,8)65(57(9,10)44-46)67-48-37-31-28-32-38-48/h45-50H,11-44H2,1-10H3,(H2,59,60,61,62,63).
What are the key properties of 6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 956.97 g/mol, XLogP of 16.99, 30 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[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)dodecyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).