4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine

C50H92N14O2 — CID 19090218

IUPAC4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(Nc1nc(N)nc(NCCCCCCNc2nc(N)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C50H92N14O2/c1-11-23-39(35-31-47(3,4)63(48(5,6)32-35)65-37-25-17-15-18-26-37)55-45-59-41(51)57-43(61-45)53-29-21-13-14-22-30-54-44-58-42(52)60-46(62-44)56-40(24-12-2)36-33-49(7,8)64(50(9,10)34-36)66-38-27-19-16-20-28-38/h35-40H,11-34H2,1-10H3,(H4,51,53,55,57,59,61)(H4,52,54,56,58,60,62)
InChIKeyHMKBHIOHKIPTDH-UHFFFAOYSA-N
MW921.38 g/mol
LogP10.53
Rot. Bonds23

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

4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 19090218) has the molecular formula C50H92N14O2 and a molecular weight of 921.38 g/mol. Its IUPAC name is 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID19090218
Molecular FormulaC50H92N14O2
Molecular Weight921.38 g/mol
Exact Mass920.75
IUPAC Name4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCCC(Nc1nc(N)nc(NCCCCCCNc2nc(N)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C50H92N14O2/c1-11-23-39(35-31-47(3,4)63(48(5,6)32-35)65-37-25-17-15-18-26-37)55-45-59-41(51)57-43(61-45)53-29-21-13-14-22-30-54-44-58-42(52)60-46(62-44)56-40(24-12-2)36-33-49(7,8)64(50(9,10)34-36)66-38-27-19-16-20-28-38/h35-40H,11-34H2,1-10H3,(H4,51,53,55,57,59,61)(H4,52,54,56,58,60,62)
InChIKeyHMKBHIOHKIPTDH-UHFFFAOYSA-N
XLogP10.53
TPSA202.44 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500921.38
LogP ≤ 510.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (CID 19090218) is 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[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 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is CCCC(Nc1nc(N)nc(NCCCCCCNc2nc(N)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HMKBHIOHKIPTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H92N14O2/c1-11-23-39(35-31-47(3,4)63(48(5,6)32-35)65-37-25-17-15-18-26-37)55-45-59-41(51)57-43(61-45)53-29-21-13-14-22-30-54-44-58-42(52)60-46(62-44)56-40(24-12-2)36-33-49(7,8)64(50(9,10)34-36)66-38-27-19-16-20-28-38/h35-40H,11-34H2,1-10H3,(H4,51,53,55,57,59,61)(H4,52,54,56,58,60,62).
What are the key properties of 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine?
4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 921.38 g/mol, XLogP of 10.53, 23 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19090218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).