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

C41H76N8O2 — CID 19090189

IUPAC2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(Nc1nc(N)nc(NC(CCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C41H76N8O2/c1-11-19-33(29-25-38(3,4)48(39(5,6)26-29)50-31-21-15-13-16-22-31)43-36-45-35(42)46-37(47-36)44-34(20-12-2)30-27-40(7,8)49(41(9,10)28-30)51-32-23-17-14-18-24-32/h29-34H,11-28H2,1-10H3,(H4,42,43,44,45,46,47)
InChIKeyVAHNHTBJDHOGJL-UHFFFAOYSA-N
MW713.11 g/mol
LogP9.68
Rot. Bonds14

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

2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090189) has the molecular formula C41H76N8O2 and a molecular weight of 713.11 g/mol. Its IUPAC name is 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID19090189
Molecular FormulaC41H76N8O2
Molecular Weight713.11 g/mol
Exact Mass712.61
IUPAC Name2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(Nc1nc(N)nc(NC(CCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C41H76N8O2/c1-11-19-33(29-25-38(3,4)48(39(5,6)26-29)50-31-21-15-13-16-22-31)43-36-45-35(42)46-37(47-36)44-34(20-12-2)30-27-40(7,8)49(41(9,10)28-30)51-32-23-17-14-18-24-32/h29-34H,11-28H2,1-10H3,(H4,42,43,44,45,46,47)
InChIKeyVAHNHTBJDHOGJL-UHFFFAOYSA-N
XLogP9.68
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.11
LogP ≤ 59.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 19090189) is 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CCCC(Nc1nc(N)nc(NC(CCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VAHNHTBJDHOGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H76N8O2/c1-11-19-33(29-25-38(3,4)48(39(5,6)26-29)50-31-21-15-13-16-22-31)43-36-45-35(42)46-37(47-36)44-34(20-12-2)30-27-40(7,8)49(41(9,10)28-30)51-32-23-17-14-18-24-32/h29-34H,11-28H2,1-10H3,(H4,42,43,44,45,46,47).
What are the key properties of 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 713.11 g/mol, XLogP of 9.68, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).