2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine

C45H84N8O2 — CID 19768378

IUPAC2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CC)CC)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C45H84N8O2/c1-13-17-29-50(35-31-42(5,6)52(43(7,8)32-35)54-37-25-21-19-22-26-37)40-46-39(49(15-3)16-4)47-41(48-40)51(30-18-14-2)36-33-44(9,10)53(45(11,12)34-36)55-38-27-23-20-24-28-38/h35-38H,13-34H2,1-12H3
InChIKeyHLOWDDHAFLZDKB-UHFFFAOYSA-N
MW769.22 g/mol
LogP10.50
Rot. Bonds17

About 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 19768378) has the molecular formula C45H84N8O2 and a molecular weight of 769.22 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID19768378
Molecular FormulaC45H84N8O2
Molecular Weight769.22 g/mol
Exact Mass768.67
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CC)CC)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C45H84N8O2/c1-13-17-29-50(35-31-42(5,6)52(43(7,8)32-35)54-37-25-21-19-22-26-37)40-46-39(49(15-3)16-4)47-41(48-40)51(30-18-14-2)36-33-44(9,10)53(45(11,12)34-36)55-38-27-23-20-24-28-38/h35-38H,13-34H2,1-12H3
InChIKeyHLOWDDHAFLZDKB-UHFFFAOYSA-N
XLogP10.50
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.22
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 19768378) is 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(N(CC)CC)nc(N(CCCC)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-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HLOWDDHAFLZDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H84N8O2/c1-13-17-29-50(35-31-42(5,6)52(43(7,8)32-35)54-37-25-21-19-22-26-37)40-46-39(49(15-3)16-4)47-41(48-40)51(30-18-14-2)36-33-44(9,10)53(45(11,12)34-36)55-38-27-23-20-24-28-38/h35-38H,13-34H2,1-12H3.
What are the key properties of 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 769.22 g/mol, XLogP of 10.50, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19768378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).