6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C39H71N7O2 — CID 135234608

IUPAC6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1nc(N(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(C(C)(C)C)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C39H71N7O2/c1-35(2,3)32-40-33(43(12)28-24-36(4,5)45(37(6,7)25-28)47-30-20-16-14-17-21-30)42-34(41-32)44(13)29-26-38(8,9)46(39(10,11)27-29)48-31-22-18-15-19-23-31/h28-31H,14-27H2,1-13H3
InChIKeyJVJCFYXXNLSYBC-UHFFFAOYSA-N
MW670.04 g/mol
LogP8.61
Rot. Bonds8

About 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 135234608) has the molecular formula C39H71N7O2 and a molecular weight of 670.04 g/mol. Its IUPAC name is 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID135234608
Molecular FormulaC39H71N7O2
Molecular Weight670.04 g/mol
Exact Mass669.57
IUPAC Name6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1nc(N(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(C(C)(C)C)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C39H71N7O2/c1-35(2,3)32-40-33(43(12)28-24-36(4,5)45(37(6,7)25-28)47-30-20-16-14-17-21-30)42-34(41-32)44(13)29-26-38(8,9)46(39(10,11)27-29)48-31-22-18-15-19-23-31/h28-31H,14-27H2,1-13H3
InChIKeyJVJCFYXXNLSYBC-UHFFFAOYSA-N
XLogP8.61
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.04
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 135234608) is 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(c1nc(N(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)nc(C(C)(C)C)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JVJCFYXXNLSYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H71N7O2/c1-35(2,3)32-40-33(43(12)28-24-36(4,5)45(37(6,7)25-28)47-30-20-16-14-17-21-30)42-34(41-32)44(13)29-26-38(8,9)46(39(10,11)27-29)48-31-22-18-15-19-23-31/h28-31H,14-27H2,1-13H3.
What are the key properties of 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 670.04 g/mol, XLogP of 8.61, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 135234608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).