2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine

C36H64N2 — CID 22251758

IUPAC2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCC(C(C)(C)C)C1NCc1ccc(CNC2C(C(C)(C)C)CCCC2C(C)(C)C)cc1
InChIInChI=1S/C36H64N2/c1-33(2,3)27-15-13-16-28(34(4,5)6)31(27)37-23-25-19-21-26(22-20-25)24-38-32-29(35(7,8)9)17-14-18-30(32)36(10,11)12/h19-22,27-32,37-38H,13-18,23-24H2,1-12H3
InChIKeyVSIIUOSWZNEZEK-UHFFFAOYSA-N
MW524.92 g/mol
LogP9.62
Rot. Bonds6

About 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine

2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine (PubChem CID 22251758) has the molecular formula C36H64N2 and a molecular weight of 524.92 g/mol. Its IUPAC name is 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
PubChem CID22251758
Molecular FormulaC36H64N2
Molecular Weight524.92 g/mol
Exact Mass524.51
IUPAC Name2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCC(C(C)(C)C)C1NCc1ccc(CNC2C(C(C)(C)C)CCCC2C(C)(C)C)cc1
InChIInChI=1S/C36H64N2/c1-33(2,3)27-15-13-16-28(34(4,5)6)31(27)37-23-25-19-21-26(22-20-25)24-38-32-29(35(7,8)9)17-14-18-30(32)36(10,11)12/h19-22,27-32,37-38H,13-18,23-24H2,1-12H3
InChIKeyVSIIUOSWZNEZEK-UHFFFAOYSA-N
XLogP9.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.92
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine (CID 22251758) is 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine is CC(C)(C)C1CCCC(C(C)(C)C)C1NCc1ccc(CNC2C(C(C)(C)C)CCCC2C(C)(C)C)cc1.
What is the InChIKey of 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine?
The InChIKey is VSIIUOSWZNEZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64N2/c1-33(2,3)27-15-13-16-28(34(4,5)6)31(27)37-23-25-19-21-26(22-20-25)24-38-32-29(35(7,8)9)17-14-18-30(32)36(10,11)12/h19-22,27-32,37-38H,13-18,23-24H2,1-12H3.
What are the key properties of 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine?
2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine has a molecular weight of 524.92 g/mol, XLogP of 9.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-N-[[4-[[(2,6-ditert-butylcyclohexyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 22251758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).