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

C42H78N8O2 — CID 18716469

IUPAC2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CC)CC)nc(N(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C42H78N8O2/c1-13-16-27-48(33-30-41(8,9)50(42(10,11)31-33)52-35-25-21-18-22-26-35)38-44-36(43-37(45-38)47(14-2)15-3)46(12)32-28-39(4,5)49(40(6,7)29-32)51-34-23-19-17-20-24-34/h32-35H,13-31H2,1-12H3
InChIKeyLIAYLRWZPOVVPS-UHFFFAOYSA-N
MW727.14 g/mol
LogP9.33
Rot. Bonds14

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

2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 18716469) has the molecular formula C42H78N8O2 and a molecular weight of 727.14 g/mol. Its IUPAC name is 2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID18716469
Molecular FormulaC42H78N8O2
Molecular Weight727.14 g/mol
Exact Mass726.62
IUPAC Name2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(c1nc(N(CC)CC)nc(N(C)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C42H78N8O2/c1-13-16-27-48(33-30-41(8,9)50(42(10,11)31-33)52-35-25-21-18-22-26-35)38-44-36(43-37(45-38)47(14-2)15-3)46(12)32-28-39(4,5)49(40(6,7)29-32)51-34-23-19-17-20-24-34/h32-35H,13-31H2,1-12H3
InChIKeyLIAYLRWZPOVVPS-UHFFFAOYSA-N
XLogP9.33
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.14
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-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-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 18716469) is 2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CCCCN(c1nc(N(CC)CC)nc(N(C)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-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LIAYLRWZPOVVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H78N8O2/c1-13-16-27-48(33-30-41(8,9)50(42(10,11)31-33)52-35-25-21-18-22-26-35)38-44-36(43-37(45-38)47(14-2)15-3)46(12)32-28-39(4,5)49(40(6,7)29-32)51-34-23-19-17-20-24-34/h32-35H,13-31H2,1-12H3.
What are the key properties of 2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 727.14 g/mol, XLogP of 9.33, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N,4-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18716469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).